[4-(4-nitrophenyl)sulfanylphenyl]methyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H17NO6S/c1-13-11-19(23)28-14(2)20(13)21(24)27-12-15-3-7-17(8-4-15)29-18-9-5-16(6-10-18)22(25)26/h3-11H,12H2,1-2H3