3,4-bis[3-(phenylmethylsulfanyl)propyl]phthalic acid

Systemtic Name: 3,4-bis[3-(phenylmethylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis(3-benzylsulfanylpropyl)phthalic acid CAS Name: 3,4-bis[3-(phenylmethylthio)propyl]phthalic acid IUPAC Name: 3,4-bis(3-benzylsulfanylpropyl)phthalic acid Traditional Name: 3,4-bis[3-(benzylthio)propyl]phthalic acid Formula: C28H30O4S2 MolecularWeight: 494.6654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC2=C(C(=C(C=C2)C(=O)O)C(=O)O)CCCSCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC2=C(C(=C(C=C2)C(=O)O)C(=O)O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C28H30O4S2/c29-27(30)25-16-15-23(13-7-17-33-19-21-9-3-1-4-10-21)24(26(25)28(31)32)14-8-18-34-20-22-11-5-2-6-12-22/h1-6,9-12,15-16H,7-8,13-14,17-20H2,(H,29,30)(H,31,32)