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

Systemtic Name: [6-(2-oxidanylidene-4-phenylmethoxy-3-propanoyloxy-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-(4-benzyloxy-2-oxo-3-propanoyloxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[[2-oxo-3-(1-oxopropoxy)-4-phenylmethoxy-1-benzopyran-7-yl]oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(2-oxo-4-phenylmethoxy-3-propanoyloxychromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(4-benzoxy-2-keto-3-propionyloxy-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C53H42O15 MolecularWeight: 918.89158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C2=C(C=C(C=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)OC1=O)OCC8=CC=CC=C8

Isomeric SMILES

CCC(=O)OC1=C(C2=C(C=C(C=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)OC1=O)OCC8=CC=CC=C8

InChI

InChI=1S/C53H42O15/c1-2-42(54)65-46-43(60-31-33-18-8-3-9-19-33)39-29-28-38(30-40(39)63-52(46)59)62-53-47(68-51(58)37-26-16-7-17-27-37)45(67-50(57)36-24-14-6-15-25-36)44(66-49(56)35-22-12-5-13-23-35)41(64-53)32-61-48(55)34-20-10-4-11-21-34/h3-30,41,44-45,47,53H,2,31-32H2,1H3