(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C22H15NO6S MolecularWeight: 421.4226

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H15NO6S/c1-30-19-9-7-14(10-17(19)23(26)27)22(25)28-12-15-11-20(24)29-18-8-6-13-4-2-3-5-16(13)21(15)18/h2-11H,12H2,1H3