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

Systemtic Name: [6-(3-acetyloxy-4-octoxy-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [6-(3-acetoxy-4-octoxy-2-oxo-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [6-[(3-acetyloxy-4-octoxy-2-oxo-1-benzopyran-7-yl)oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [6-(3-acetyloxy-4-octoxy-2-oxochromen-7-yl)oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(3-acetoxy-2-keto-4-octoxy-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C53H50O15 MolecularWeight: 926.9551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=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

CCCCCCCCOC1=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/C53H50O15/c1-3-4-5-6-7-20-31-60-43-40-30-29-39(32-41(40)64-52(59)46(43)62-34(2)54)63-53-47(68-51(58)38-27-18-11-19-28-38)45(67-50(57)37-25-16-10-17-26-37)44(66-49(56)36-23-14-9-15-24-36)42(65-53)33-61-48(55)35-21-12-8-13-22-35/h8-19,21-30,32,42,44-45,47,53H,3-7,20,31,33H2,1-2H3