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

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]methyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: [4-(2-chloro-4-nitro-phenyl)sulfanylphenyl]methyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [4-[(2-chloro-4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(2-chloro-4-nitrophenyl)sulfanylphenyl]methyl 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid [4-[(2-chloro-4-nitro-phenyl)thio]benzyl] ester Formula: C21H16ClNO6S MolecularWeight: 445.87284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO6S/c1-12-9-19(24)29-13(2)20(12)21(25)28-11-14-3-6-16(7-4-14)30-18-8-5-15(23(26)27)10-17(18)22/h3-10H,11H2,1-2H3