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

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C

InChI

InChI=1S/C17H17NO6S/c1-12-3-8-15(18(20)21)11-17(12)25(22,23)24-16-9-6-14(7-10-16)5-4-13(2)19/h3,6-11H,4-5H2,1-2H3