[4-(3-oxidanylidenebutyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO6S/c1-12-10-16(19(21)22)11-18(14(12)3)26(23,24)25-17-8-6-15(7-9-17)5-4-13(2)20/h6-11H,4-5H2,1-3H3