3,4-bis[1-(3-phenylpropylsulfanyl)propyl]phthalic acid

Systemtic Name: 3,4-bis[1-(3-phenylpropylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis[1-(3-phenylpropylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[1-(3-phenylpropylthio)propyl]phthalic acid IUPAC Name: 3,4-bis[1-(3-phenylpropylsulfanyl)propyl]phthalic acid Traditional Name: 3,4-bis[1-(3-phenylpropylthio)propyl]phthalic acid Formula: C32H38O4S2 MolecularWeight: 550.77172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCCC2=CC=CC=C2)SCCCC3=CC=CC=C3

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCCC2=CC=CC=C2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C32H38O4S2/c1-3-27(37-21-11-17-23-13-7-5-8-14-23)25-19-20-26(31(33)34)30(32(35)36)29(25)28(4-2)38-22-12-18-24-15-9-6-10-16-24/h5-10,13-16,19-20,27-28H,3-4,11-12,17-18,21-22H2,1-2H3,(H,33,34)(H,35,36)