[2-[(2,4-dichlorophenyl)methyl]-4-methyl-3,5-dinitro-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(2,4-dichlorophenyl)methyl]-4-methyl-3,5-dinitro-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(2,4-dichlorophenyl)methyl]-4-methyl-3,5-dinitro-6-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(2,4-dichlorophenyl)methyl]-4-methyl-3,5-dinitro-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methyl]-4-methyl-3,5-dinitro-6-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,4-dichlorobenzyl)-6-keto-4-methyl-3,5-dinitro-1-pyridyl] ester Formula: C20H15Cl2N3O8S MolecularWeight: 528.3194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=C(C(=C(C2=O)[N+](=O)[O-])C)[N+](=O)[O-])CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=C(C(=C(C2=O)[N+](=O)[O-])C)[N+](=O)[O-])CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H15Cl2N3O8S/c1-11-3-7-15(8-4-11)34(31,32)33-23-17(9-13-5-6-14(21)10-16(13)22)18(24(27)28)12(2)19(20(23)26)25(29)30/h3-8,10H,9H2,1-2H3