4-(4-sulfocyclohexyl)cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 4-(4-sulfocyclohexyl)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 4-(4-sulfocyclohexyl)cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 4-(4-sulfocyclohexyl)-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 4-(4-sulfocyclohexyl)cyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 4-(4-sulfocyclohexyl)cyclohexa-1,5-diene-1-sulfonic acid Formula: C12H18O6S2 MolecularWeight: 322.39772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CC(CCC1C2CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H18O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1,5-6,9-10,12H,2-4,7-8H2,(H,13,14,15)(H,16,17,18)