[nitro(phenyl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [nitro(phenyl)methyl] 4-methylbenzenesulfonate Openeye Name: [nitro(phenyl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [nitro(phenyl)methyl] ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5S/c1-11-7-9-13(10-8-11)21(18,19)20-14(15(16)17)12-5-3-2-4-6-12/h2-10,14H,1H3