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

Systemtic Name: [6-(3-ethoxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-(3-ethoxy-2-hydroxy-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(3-ethoxy-2-hydroxy-4-oxo-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(3-ethoxy-2-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(3-ethoxy-2-hydroxy-4-keto-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C45H36O14 MolecularWeight: 800.75894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C45H36O14/c1-2-52-37-35(46)32-24-23-31(25-33(32)55-44(37)51)54-45-39(59-43(50)30-21-13-6-14-22-30)38(58-42(49)29-19-11-5-12-20-29)36(57-41(48)28-17-9-4-10-18-28)34(56-45)26-53-40(47)27-15-7-3-8-16-27/h3-25,34,36,38-39,45,51H,2,26H2,1H3