[6-[2,6-dimethoxy-4-[(E)-3-oxidanylidene-3-phenoxy-prop-1-enyl]phenoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [6-[2,6-dimethoxy-4-[(E)-3-oxidanylidene-3-phenoxy-prop-1-enyl]phenoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-[2,6-dimethoxy-4-[(E)-3-oxo-3-phenoxy-prop-1-enyl]phenoxy]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[2,6-dimethoxy-4-[(E)-3-oxo-3-phenoxyprop-1-enyl]phenoxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-[2,6-dimethoxy-4-[(E)-3-oxo-3-phenoxyprop-1-enyl]phenoxy]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-[4-[(E)-3-keto-3-phenoxy-prop-1-enyl]-2,6-dimethoxy-phenoxy]tetrahydropyran-2-yl]methyl ester Formula: C51H42O14 MolecularWeight: 878.87078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC)C=CC(=O)OC7=CC=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC)/C=C/C(=O)OC7=CC=CC=C7

InChI

InChI=1S/C51H42O14/c1-57-39-30-33(28-29-42(52)60-38-26-16-7-17-27-38)31-40(58-2)43(39)65-51-46(64-50(56)37-24-14-6-15-25-37)45(63-49(55)36-22-12-5-13-23-36)44(62-48(54)35-20-10-4-11-21-35)41(61-51)32-59-47(53)34-18-8-3-9-19-34/h3-31,41,44-46,51H,32H2,1-2H3/b29-28+