(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H19NO6S MolecularWeight: 461.48646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO6S/c1-15-3-7-19(8-4-15)33-23-10-6-17(12-21(23)26(29)30)25(28)31-14-18-13-24(27)32-22-11-16(2)5-9-20(18)22/h3-13H,14H2,1-2H3