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

Systemtic Name: [6-(3-butoxy-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-butoxy-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(3-butoxy-2-oxo-4-phenylmethoxy-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(3-butoxy-2-oxo-4-phenylmethoxychromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(4-benzoxy-3-butoxy-2-keto-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C54H46O14 MolecularWeight: 918.93464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C54H46O14/c1-2-3-31-60-47-44(61-33-35-19-9-4-10-20-35)41-30-29-40(32-42(41)64-53(47)59)63-54-48(68-52(58)39-27-17-8-18-28-39)46(67-51(57)38-25-15-7-16-26-38)45(66-50(56)37-23-13-6-14-24-37)43(65-54)34-62-49(55)36-21-11-5-12-22-36/h4-30,32,43,45-46,48,54H,2-3,31,33-34H2,1H3