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

Systemtic Name: [6-(2-oxidanyl-4-oxidanylidene-3-propan-2-yloxy-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-3-isopropoxy-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(2-hydroxy-4-oxo-3-propan-2-yloxy-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-oxo-3-propan-2-yloxychromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(2-hydroxy-3-isopropoxy-4-keto-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C46H38O14 MolecularWeight: 814.78552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

CC(C)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/C46H38O14/c1-27(2)54-38-36(47)33-24-23-32(25-34(33)56-45(38)52)55-46-40(60-44(51)31-21-13-6-14-22-31)39(59-43(50)30-19-11-5-12-20-30)37(58-42(49)29-17-9-4-10-18-29)35(57-46)26-53-41(48)28-15-7-3-8-16-28/h3-25,27,35,37,39-40,46,52H,26H2,1-2H3