6-hexadecyl-4-oxidanylidene-2-sulfanyl-3-sulfanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 6-hexadecyl-4-oxidanylidene-2-sulfanyl-3-sulfanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 6-hexadecyl-4-oxo-2-sulfanyl-3-thioxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 6-hexadecyl-2-mercapto-4-oxo-3-sulfanylidene-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 6-hexadecyl-4-oxo-2-sulfanyl-3-sulfanylidenecyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 6-cetyl-4-keto-2-mercapto-3-thioxo-cyclohexa-1,5-diene-1-sulfonic acid Formula: C22H36O4S3 MolecularWeight: 460.71384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=O)C(=S)C(=C1S(=O)(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=O)C(=S)C(=C1S(=O)(=O)O)S

InChI

InChI=1S/C22H36O4S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(23)20(27)21(28)22(18)29(24,25)26/h17,28H,2-16H2,1H3,(H,24,25,26)