3-(4-nitrophenyl)butan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-nitrophenyl)butan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-(4-nitrophenyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-nitrophenyl)butan-2-yl ester IUPAC Name: 3-(4-nitrophenyl)butan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methyl-2-(4-nitrophenyl)propyl] ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S/c1-12-4-10-17(11-5-12)24(21,22)23-14(3)13(2)15-6-8-16(9-7-15)18(19)20/h4-11,13-14H,1-3H3