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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H17NO6S MolecularWeight: 447.45988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H17NO6S/c1-15-7-9-19-17(13-23(26)31-21(19)11-15)14-30-24(27)16-8-10-22(20(12-16)25(28)29)32-18-5-3-2-4-6-18/h2-13H,14H2,1H3