[cyano-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [cyano-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate Openeye Name: [cyano-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [cyano-(2-nitrophenyl)methyl] ester IUPAC Name: [cyano-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [cyano-(2-nitrophenyl)methyl] ester Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5S/c1-11-6-8-12(9-7-11)23(20,21)22-15(10-16)13-4-2-3-5-14(13)17(18)19/h2-9,15H,1H3