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

Systemtic Name: [6-(2-oxidanyl-4-oxidanylidene-3-propanoyloxy-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-oxo-3-propanoyloxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[[2-hydroxy-4-oxo-3-(1-oxopropoxy)-1-benzopyran-7-yl]oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-oxo-3-propanoyloxychromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-keto-3-propionyloxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C46H36O15 MolecularWeight: 828.76904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(OC2=C(C1=O)C=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)O

Isomeric SMILES

CCC(=O)OC1=C(OC2=C(C1=O)C=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)O

InChI

InChI=1S/C46H36O15/c1-2-35(47)58-38-36(48)32-24-23-31(25-33(32)56-45(38)53)55-46-40(61-44(52)30-21-13-6-14-22-30)39(60-43(51)29-19-11-5-12-20-29)37(59-42(50)28-17-9-4-10-18-28)34(57-46)26-54-41(49)27-15-7-3-8-16-27/h3-25,34,37,39-40,46,53H,2,26H2,1H3