(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H19NO7S MolecularWeight: 489.49656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

InChI

InChI=1S/C26H19NO7S/c1-15-7-9-18-17(13-24(28)34-22(18)11-15)14-33-26(30)20-6-4-3-5-19(20)25(29)16-8-10-23(35-2)21(12-16)27(31)32/h3-13H,14H2,1-2H3