(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H19NO6S MolecularWeight: 461.48646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H19NO6S/c1-15-8-10-20-18(13-23(27)32-24(20)16(15)2)14-31-25(28)17-9-11-22(21(12-17)26(29)30)33-19-6-4-3-5-7-19/h3-13H,14H2,1-2H3