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

Systemtic Name: 3-[[5-carboxy-2-(phenylcarbonyl)-3-prop-2-enylsulfanyl-phenyl]diazenyl]-4-(phenylcarbonyl)-5-prop-2-enylsulfanyl-benzoic acid Openeye Name: 3-allylsulfanyl-5-(3-allylsulfanyl-2-benzoyl-5-carboxy-phenyl)azo-4-benzoyl-benzoic acid CAS Name: 4-benzoyl-3-[2-benzoyl-5-carboxy-3-(prop-2-enylthio)phenyl]azo-5-(prop-2-enylthio)benzoic acid IUPAC Name: 4-benzoyl-3-[(2-benzoyl-5-carboxy-3-prop-2-enylsulfanylphenyl)diazenyl]-5-prop-2-enylsulfanylbenzoic acid Traditional Name: 3-(allylthio)-5-[3-(allylthio)-2-benzoyl-5-carboxy-phenyl]azo-4-benzoyl-benzoic acid Formula: C34H26N2O6S2 MolecularWeight: 622.71004

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N=NC3=C(C(=CC(=C3)C(=O)O)SCC=C)C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C=CCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N=NC3=C(C(=CC(=C3)C(=O)O)SCC=C)C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C34H26N2O6S2/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/h3-14,17-20H,1-2,15-16H2,(H,39,40)(H,41,42)