methyl 2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-6-prop-2-enoxy-benzoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-6-prop-2-enoxy-benzoate Openeye Name: methyl 6-allyloxy-3-nitro-2-(p-tolylsulfonylmethyl)benzoate CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-6-prop-2-enoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-6-prop-2-enoxybenzoate Traditional Name: 6-allyloxy-3-nitro-2-(tosylmethyl)benzoic acid methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2C(=O)OC)OCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2C(=O)OC)OCC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO7S/c1-4-11-27-17-10-9-16(20(22)23)15(18(17)19(21)26-3)12-28(24,25)14-7-5-13(2)6-8-14/h4-10H,1,11-12H2,2-3H3