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

Systemtic Name: [6-(2-oxidanyl-4-oxidanylidene-3-undecoxy-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-oxo-3-undecoxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(2-hydroxy-4-oxo-3-undecoxy-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-oxo-3-undecoxychromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-keto-3-undecoxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C54H54O14 MolecularWeight: 926.99816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=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

CCCCCCCCCCCOC1=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/C54H54O14/c1-2-3-4-5-6-7-8-9-22-33-61-46-44(55)41-32-31-40(34-42(41)64-53(46)60)63-54-48(68-52(59)39-29-20-13-21-30-39)47(67-51(58)38-27-18-12-19-28-38)45(66-50(57)37-25-16-11-17-26-37)43(65-54)35-62-49(56)36-23-14-10-15-24-36/h10-21,23-32,34,43,45,47-48,54,60H,2-9,22,33,35H2,1H3