[(9R,10S)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-chloranylbenzoate

Systemtic Name: [(9R,10S)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-chloranylbenzoate Openeye Name: [(9R,10S)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(9R,10S)-8,8-dimethyl-9-(3-methyl-1-oxobutoxy)-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester IUPAC Name: [(9R,10S)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(9R,10S)-9-isovaleryloxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-10-yl] ester Formula: C26H25ClO7 MolecularWeight: 484.9255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CC(=O)O[C@@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H25ClO7/c1-14(2)12-20(29)32-24-23(33-25(30)16-6-5-7-17(27)13-16)21-18(34-26(24,3)4)10-8-15-9-11-19(28)31-22(15)21/h5-11,13-14,23-24H,12H2,1-4H3/t23-,24+/m0/s1