2-(4-nitrophenyl)sulfonyl-4-phenyl-butanoate

Systemtic Name: 2-(4-nitrophenyl)sulfonyl-4-phenyl-butanoate Openeye Name: 2-(4-nitrophenyl)sulfonyl-4-phenyl-butanoate CAS Name: 2-(4-nitrophenyl)sulfonyl-4-phenylbutanoate IUPAC Name: 2-(4-nitrophenyl)sulfonyl-4-phenylbutanoate Traditional Name: 2-nosyl-4-phenyl-butyrate Formula: C16H14NO6S- MolecularWeight: 348.35046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c18-16(19)15(11-6-12-4-2-1-3-5-12)24(22,23)14-9-7-13(8-10-14)17(20)21/h1-5,7-10,15H,6,11H2,(H,18,19)/p-1