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

Systemtic Name: [6-(3-hexoxy-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-hexoxy-2-hydroxy-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(3-hexoxy-2-hydroxy-4-oxo-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(3-hexoxy-2-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(3-hexoxy-2-hydroxy-4-keto-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C49H44O14 MolecularWeight: 856.86526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C49H44O14/c1-2-3-4-17-28-56-41-39(50)36-27-26-35(29-37(36)59-48(41)55)58-49-43(63-47(54)34-24-15-8-16-25-34)42(62-46(53)33-22-13-7-14-23-33)40(61-45(52)32-20-11-6-12-21-32)38(60-49)30-57-44(51)31-18-9-5-10-19-31/h5-16,18-27,29,38,40,42-43,49,55H,2-4,17,28,30H2,1H3