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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C18H13NO6S MolecularWeight: 371.36392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO6S/c1-10-7-17(20)25-15-9-12(4-5-13(10)15)24-18(21)11-3-6-16(26-2)14(8-11)19(22)23/h3-9H,1-2H3