[6-(3-acetyloxy-7-butoxy-2-oxidanylidene-chromen-4-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [6-(3-acetyloxy-7-butoxy-2-oxidanylidene-chromen-4-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [6-(3-acetoxy-7-butoxy-2-oxo-chromen-4-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [6-[(3-acetyloxy-7-butoxy-2-oxo-1-benzopyran-4-yl)oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [6-(3-acetyloxy-7-butoxy-2-oxochromen-4-yl)oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(3-acetoxy-7-butoxy-2-keto-chromen-4-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C49H42O15 MolecularWeight: 870.84878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C49H42O15/c1-3-4-27-56-35-25-26-36-37(28-35)59-48(55)42(58-30(2)50)39(36)64-49-43(63-47(54)34-23-15-8-16-24-34)41(62-46(53)33-21-13-7-14-22-33)40(61-45(52)32-19-11-6-12-20-32)38(60-49)29-57-44(51)31-17-9-5-10-18-31/h5-26,28,38,40-41,43,49H,3-4,27,29H2,1-2H3