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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C28H19NO6S MolecularWeight: 497.51856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H19NO6S/c1-17-6-10-21(11-7-17)36-25-13-9-19(14-23(25)29(32)33)28(31)34-16-20-15-26(30)35-24-12-8-18-4-2-3-5-22(18)27(20)24/h2-15H,16H2,1H3