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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H17NO6S MolecularWeight: 483.49198

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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=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H17NO6S/c29-25-15-19(26-21-9-5-4-6-17(21)10-12-23(26)34-25)16-33-27(30)18-11-13-24(22(14-18)28(31)32)35-20-7-2-1-3-8-20/h1-15H,16H2