(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H22F3NO6S MolecularWeight: 557.53759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C28H22F3NO6S/c1-15(2)20-13-21-17(11-26(33)38-23(21)10-16(20)3)14-37-27(34)19-6-4-5-7-24(19)39-25-9-8-18(28(29,30)31)12-22(25)32(35)36/h4-13,15H,14H2,1-3H3