4-[2-[3-nitro-4-[2-(4-sulfanylphenyl)ethynyl]phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[3-nitro-4-[2-(4-sulfanylphenyl)ethynyl]phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[3-nitro-4-[2-(4-sulfanylphenyl)ethynyl]phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-[2-(4-mercaptophenyl)ethynyl]-3-nitrophenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-nitro-4-[2-(4-sulfanylphenyl)ethynyl]phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-[2-(4-mercaptophenyl)ethynyl]-3-nitro-phenyl]ethynyl]benzoic acid Formula: C23H13NO4S MolecularWeight: 399.41862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC(=C(C=C2)C#CC3=CC=C(C=C3)S)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC(=C(C=C2)C#CC3=CC=C(C=C3)S)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H13NO4S/c25-23(26)20-11-4-16(5-12-20)1-2-18-6-10-19(22(15-18)24(27)28)9-3-17-7-13-21(29)14-8-17/h4-8,10-15,29H,(H,25,26)