1-(3-nitrophenyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-(3-nitrophenyl)ethyl 4-methylbenzenesulfonate Openeye Name: 1-(3-nitrophenyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(3-nitrophenyl)ethyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c1-11-6-8-15(9-7-11)22(19,20)21-12(2)13-4-3-5-14(10-13)16(17)18/h3-10,12H,1-2H3