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

Systemtic Name: [6-(3-hexoxy-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-hexoxy-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(3-hexoxy-2-oxo-4-phenylmethoxy-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(3-hexoxy-2-oxo-4-phenylmethoxychromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(4-benzoxy-3-hexoxy-2-keto-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C56H50O14 MolecularWeight: 946.9878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C56H50O14/c1-2-3-4-20-33-62-49-46(63-35-37-21-10-5-11-22-37)43-32-31-42(34-44(43)66-55(49)61)65-56-50(70-54(60)41-29-18-9-19-30-41)48(69-53(59)40-27-16-8-17-28-40)47(68-52(58)39-25-14-7-15-26-39)45(67-56)36-64-51(57)38-23-12-6-13-24-38/h5-19,21-32,34,45,47-48,50,56H,2-4,20,33,35-36H2,1H3