6-methoxycarbonyl-3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-2-prop-2-enyl-phenolate

Systemtic Name: 6-methoxycarbonyl-3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-2-prop-2-enyl-phenolate Openeye Name: 2-allyl-6-methoxycarbonyl-4-nitro-3-(p-tolylsulfonylmethyl)phenolate CAS Name: 6-methoxycarbonyl-3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-2-prop-2-enylphenolate IUPAC Name: 6-methoxycarbonyl-3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-2-prop-2-enylphenolate Traditional Name: 2-allyl-6-carbomethoxy-4-nitro-3-(tosylmethyl)phenolate Formula: C19H18NO7S- MolecularWeight: 404.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C(=C2CC=C)[O-])C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C(=C2CC=C)[O-])C(=O)OC)[N+](=O)[O-]

InChI

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