2,3-bis[3-(2-methylphenyl)sulfanylpropanoyl]benzoic acid

Systemtic Name: 2,3-bis[3-(2-methylphenyl)sulfanylpropanoyl]benzoic acid Openeye Name: 2,3-bis[3-(o-tolylsulfanyl)propanoyl]benzoic acid CAS Name: 2,3-bis[3-[(2-methylphenyl)thio]-1-oxopropyl]benzoic acid IUPAC Name: 2,3-bis[3-(2-methylphenyl)sulfanylpropanoyl]benzoic acid Traditional Name: 2,3-bis[3-(o-tolylthio)propanoyl]benzoic acid Formula: C27H26O4S2 MolecularWeight: 478.62294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCC(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)CCSC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1SCCC(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)CCSC3=CC=CC=C3C

InChI

InChI=1S/C27H26O4S2/c1-18-8-3-5-12-24(18)32-16-14-22(28)20-10-7-11-21(27(30)31)26(20)23(29)15-17-33-25-13-6-4-9-19(25)2/h3-13H,14-17H2,1-2H3,(H,30,31)