4-octyl-2-(phenyldisulfanyl)benzoic acid

Systemtic Name: 4-octyl-2-(phenyldisulfanyl)benzoic acid Openeye Name: 4-octyl-2-(phenyldisulfanyl)benzoic acid CAS Name: 4-octyl-2-(phenyldisulfanyl)benzoic acid IUPAC Name: 4-octyl-2-(phenyldisulfanyl)benzoic acid Traditional Name: 4-octyl-2-(phenyldisulfanyl)benzoic acid Formula: C21H26O2S2 MolecularWeight: 374.55994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)O)SSC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)O)SSC2=CC=CC=C2

InChI

InChI=1S/C21H26O2S2/c1-2-3-4-5-6-8-11-17-14-15-19(21(22)23)20(16-17)25-24-18-12-9-7-10-13-18/h7,9-10,12-16H,2-6,8,11H2,1H3,(H,22,23)