Chemical identity

4-((Z)-((1S,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene)methyl)benzenesulfonic acid

CAS 56039-58-8 · C17H20O4S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-02807
PubChem CID98295706
Name4-((Z)-((1S,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene)methyl)benzenesulfonic acid
CAS RN56039-58-8
Molecular formulaC17H20O4S
Molecular weight320.40 g/mol
IUPAC name4-((Z)-((1S,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene)methyl)benzenesulfonic acid
InChIKeyKKJKXQYVUVWWJP-URPBKQNGSA-N

02Structure identifiers

2D structurePubChem CID 98295706
Two-dimensional chemical structure of 4-((Z)-((1S,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene)methyl)benzenesulfonic acid, CAS 56039-58-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CC[C@@H](C1(C)C)/C(=C/C3=CC=C(C=C3)S(=O)(=O)O)/C2=O
InChINot listed
Formula from structureC17H20O4S
Molecular weight from structure320.40 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 56039-58-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 56039-58-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Chemical / D-Camphor Sulfonic Acid

View associated product family

Other names

  • Benzylidene Camphor Sulfonic Acid
  • 4-((4, 7, 7-Trimethyl-3-oxobicyclo(2.2.1)hept-2-ylidene)methyl)benzenesulfonic acid

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources