4-butyl-2-[2-nitro-4-(phenylcarbonyl)phenyl]benzenesulfonic acid

Systemtic Name: 4-butyl-2-[2-nitro-4-(phenylcarbonyl)phenyl]benzenesulfonic acid Openeye Name: 2-(4-benzoyl-2-nitro-phenyl)-4-butyl-benzenesulfonic acid CAS Name: 2-(4-benzoyl-2-nitrophenyl)-4-butylbenzenesulfonic acid IUPAC Name: 2-(4-benzoyl-2-nitrophenyl)-4-butylbenzenesulfonic acid Traditional Name: 2-(4-benzoyl-2-nitro-phenyl)-4-butyl-besylic acid Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)S(=O)(=O)O)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C=C1)S(=O)(=O)O)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21NO6S/c1-2-3-7-16-10-13-22(31(28,29)30)20(14-16)19-12-11-18(15-21(19)24(26)27)23(25)17-8-5-4-6-9-17/h4-6,8-15H,2-3,7H2,1H3,(H,28,29,30)