3-[[5-carboxy-2-(phenylcarbonyl)-3-propylsulfanyl-phenyl]diazenyl]-4-(phenylcarbonyl)-5-propylsulfanyl-benzoic acid

Systemtic Name: 3-[[5-carboxy-2-(phenylcarbonyl)-3-propylsulfanyl-phenyl]diazenyl]-4-(phenylcarbonyl)-5-propylsulfanyl-benzoic acid Openeye Name: 4-benzoyl-3-(2-benzoyl-5-carboxy-3-propylsulfanyl-phenyl)azo-5-propylsulfanyl-benzoic acid CAS Name: 4-benzoyl-3-[2-benzoyl-5-carboxy-3-(propylthio)phenyl]azo-5-(propylthio)benzoic acid IUPAC Name: 4-benzoyl-3-[(2-benzoyl-5-carboxy-3-propylsulfanylphenyl)diazenyl]-5-propylsulfanylbenzoic acid Traditional Name: 4-benzoyl-3-[2-benzoyl-5-carboxy-3-(propylthio)phenyl]azo-5-(propylthio)benzoic acid Formula: C34H30N2O6S2 MolecularWeight: 626.7418

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N=NC3=C(C(=CC(=C3)C(=O)O)SCCC)C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N=NC3=C(C(=CC(=C3)C(=O)O)SCCC)C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C34H30N2O6S2/c1-3-15-43-27-19-23(33(39)40)17-25(29(27)31(37)21-11-7-5-8-12-21)35-36-26-18-24(34(41)42)20-28(44-16-4-2)30(26)32(38)22-13-9-6-10-14-22/h5-14,17-20H,3-4,15-16H2,1-2H3,(H,39,40)(H,41,42)