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

Systemtic Name: (4-methyl-3-nitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (4-methyl-3-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-methyl-3-nitro-phenyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S/c1-10-3-7-13(8-4-10)21(18,19)20-12-6-5-11(2)14(9-12)15(16)17/h3-9H,1-2H3