2-hexadecyl-5-oxidanyl-6-sulfanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 2-hexadecyl-5-oxidanyl-6-sulfanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 2-hexadecyl-5-hydroxy-6-thioxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 2-hexadecyl-5-hydroxy-6-sulfanylidene-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 2-hexadecyl-5-hydroxy-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 2-cetyl-5-hydroxy-6-thioxo-cyclohexa-1,3-diene-1-sulfonic acid Formula: C22H38O4S2 MolecularWeight: 430.66472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=S)C(C=C1)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=S)C(C=C1)O)S(=O)(=O)O

InChI

InChI=1S/C22H38O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(23)21(27)22(19)28(24,25)26/h17-18,20,23H,2-16H2,1H3,(H,24,25,26)