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

Systemtic Name: [6-(3-acetyloxy-4-decoxy-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [6-(3-acetoxy-4-decoxy-2-oxo-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [6-[(3-acetyloxy-4-decoxy-2-oxo-1-benzopyran-7-yl)oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [6-(3-acetyloxy-4-decoxy-2-oxochromen-7-yl)oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(3-acetoxy-4-decoxy-2-keto-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C55H54O15 MolecularWeight: 955.00826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)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)OC(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)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)OC(=O)C

InChI

InChI=1S/C55H54O15/c1-3-4-5-6-7-8-9-22-33-62-45-42-32-31-41(34-43(42)66-54(61)48(45)64-36(2)56)65-55-49(70-53(60)40-29-20-13-21-30-40)47(69-52(59)39-27-18-12-19-28-39)46(68-51(58)38-25-16-11-17-26-38)44(67-55)35-63-50(57)37-23-14-10-15-24-37/h10-21,23-32,34,44,46-47,49,55H,3-9,22,33,35H2,1-2H3