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

Systemtic Name: [6-(3-decoxy-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-decoxy-2-hydroxy-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(3-decoxy-2-hydroxy-4-oxo-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(3-decoxy-2-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(3-decoxy-2-hydroxy-4-keto-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C53H52O14 MolecularWeight: 912.97158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=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

CCCCCCCCCCOC1=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/C53H52O14/c1-2-3-4-5-6-7-8-21-32-60-45-43(54)40-31-30-39(33-41(40)63-52(45)59)62-53-47(67-51(58)38-28-19-12-20-29-38)46(66-50(57)37-26-17-11-18-27-37)44(65-49(56)36-24-15-10-16-25-36)42(64-53)34-61-48(55)35-22-13-9-14-23-35/h9-20,22-31,33,42,44,46-47,53,59H,2-8,21,32,34H2,1H3