2-(3-methyl-2-nitro-phenyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3-methyl-2-nitro-phenyl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(3-methyl-2-nitro-phenyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3-methyl-2-nitrophenyl)ethyl ester IUPAC Name: 2-(3-methyl-2-nitrophenyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(3-methyl-2-nitro-phenyl)ethyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC(=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC(=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H17NO5S/c1-12-6-8-15(9-7-12)23(20,21)22-11-10-14-5-3-4-13(2)16(14)17(18)19/h3-9H,10-11H2,1-2H3