4-[3-(2-methylphenyl)sulfanyl-2-[(2-methylphenyl)sulfanylmethyl]propanoyl]benzoic acid

Systemtic Name: 4-[3-(2-methylphenyl)sulfanyl-2-[(2-methylphenyl)sulfanylmethyl]propanoyl]benzoic acid Openeye Name: 4-[3-(o-tolylsulfanyl)-2-(o-tolylsulfanylmethyl)propanoyl]benzoic acid CAS Name: 4-[3-[(2-methylphenyl)thio]-2-[[(2-methylphenyl)thio]methyl]-1-oxopropyl]benzoic acid IUPAC Name: 4-[3-(2-methylphenyl)sulfanyl-2-[(2-methylphenyl)sulfanylmethyl]propanoyl]benzoic acid Traditional Name: 4-[3-(o-tolylthio)-2-[(o-tolylthio)methyl]propanoyl]benzoic acid Formula: C25H24O3S2 MolecularWeight: 436.58626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(CSC2=CC=CC=C2C)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(CSC2=CC=CC=C2C)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H24O3S2/c1-17-7-3-5-9-22(17)29-15-21(16-30-23-10-6-4-8-18(23)2)24(26)19-11-13-20(14-12-19)25(27)28/h3-14,21H,15-16H2,1-2H3,(H,27,28)