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

Systemtic Name: 3-butylsulfanyl-5-[[3-butylsulfanyl-5-carboxy-2-(phenylcarbonyl)phenyl]diazenyl]-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-(2-benzoyl-3-butylsulfanyl-5-carboxy-phenyl)azo-5-butylsulfanyl-benzoic acid CAS Name: 4-benzoyl-3-[2-benzoyl-3-(butylthio)-5-carboxyphenyl]azo-5-(butylthio)benzoic acid IUPAC Name: 4-benzoyl-3-[(2-benzoyl-3-butylsulfanyl-5-carboxyphenyl)diazenyl]-5-butylsulfanylbenzoic acid Traditional Name: 4-benzoyl-3-[2-benzoyl-3-(butylthio)-5-carboxy-phenyl]azo-5-(butylthio)benzoic acid Formula: C36H34N2O6S2 MolecularWeight: 654.79496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N=NC3=C(C(=CC(=C3)C(=O)O)SCCCC)C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N=NC3=C(C(=CC(=C3)C(=O)O)SCCCC)C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C36H34N2O6S2/c1-3-5-17-45-29-21-25(35(41)42)19-27(31(29)33(39)23-13-9-7-10-14-23)37-38-28-20-26(36(43)44)22-30(46-18-6-4-2)32(28)34(40)24-15-11-8-12-16-24/h7-16,19-22H,3-6,17-18H2,1-2H3,(H,41,42)(H,43,44)