[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (6,7-dihydroxy-2-oxo-chromen-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (6,7-dihydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H15NO8S MolecularWeight: 465.4321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO8S/c25-18-10-16-14(9-22(27)32-20(16)11-19(18)26)12-31-23(28)13-6-7-21(17(8-13)24(29)30)33-15-4-2-1-3-5-15/h1-11,25-26H,12H2