[4-(4-nitrophenyl)-4-oxidanylidene-butyl] methanesulfonate

Systemtic Name: [4-(4-nitrophenyl)-4-oxidanylidene-butyl] methanesulfonate Openeye Name: [4-(4-nitrophenyl)-4-oxo-butyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-nitrophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-nitrophenyl)-4-oxobutyl] methanesulfonate Traditional Name: methanesulfonic acid [4-keto-4-(4-nitrophenyl)butyl] ester Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO6S/c1-19(16,17)18-8-2-3-11(13)9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3