2-(octyldisulfanyl)-4-phenyl-benzoic acid

Systemtic Name: 2-(octyldisulfanyl)-4-phenyl-benzoic acid Openeye Name: 2-(octyldisulfanyl)-4-phenyl-benzoic acid CAS Name: 2-(octyldisulfanyl)-4-phenylbenzoic acid IUPAC Name: 2-(octyldisulfanyl)-4-phenylbenzoic acid Traditional Name: 2-(octyldisulfanyl)-4-phenyl-benzoic acid Formula: C21H26O2S2 MolecularWeight: 374.55994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSSC1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCSSC1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)O

InChI

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