(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H21NO6S MolecularWeight: 475.51304

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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(=C4C)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(=C4C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H21NO6S/c1-15-4-8-20(9-5-15)34-23-11-7-18(12-22(23)27(30)31)26(29)32-14-19-13-24(28)33-25-17(3)16(2)6-10-21(19)25/h4-13H,14H2,1-3H3