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

Systemtic Name: [6-(3-butoxy-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-butoxy-2-hydroxy-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(3-butoxy-2-hydroxy-4-oxo-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(3-butoxy-2-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(3-butoxy-2-hydroxy-4-keto-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C47H40O14 MolecularWeight: 828.8121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C47H40O14/c1-2-3-26-54-39-37(48)34-25-24-33(27-35(34)57-46(39)53)56-47-41(61-45(52)32-22-14-7-15-23-32)40(60-44(51)31-20-12-6-13-21-31)38(59-43(50)30-18-10-5-11-19-30)36(58-47)28-55-42(49)29-16-8-4-9-17-29/h4-25,27,36,38,40-41,47,53H,2-3,26,28H2,1H3