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

Systemtic Name: [6-(3-octoxy-2-oxidanylidene-4-phenylmethoxy-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-(4-benzyloxy-3-octoxy-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(3-octoxy-2-oxo-4-phenylmethoxy-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(3-octoxy-2-oxo-4-phenylmethoxychromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(4-benzoxy-2-keto-3-octoxy-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C58H54O14 MolecularWeight: 975.04096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=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)OC1=O)OCC8=CC=CC=C8

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=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)OC1=O)OCC8=CC=CC=C8

InChI

InChI=1S/C58H54O14/c1-2-3-4-5-6-22-35-64-51-48(65-37-39-23-12-7-13-24-39)45-34-33-44(36-46(45)68-57(51)63)67-58-52(72-56(62)43-31-20-11-21-32-43)50(71-55(61)42-29-18-10-19-30-42)49(70-54(60)41-27-16-9-17-28-41)47(69-58)38-66-53(59)40-25-14-8-15-26-40/h7-21,23-34,36,47,49-50,52,58H,2-6,22,35,37-38H2,1H3