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

Systemtic Name: [6-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-3-octoxy-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tribenzoyloxy-6-(2-hydroxy-3-octoxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(2-hydroxy-4-keto-3-octoxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C51H48O14 MolecularWeight: 884.91842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=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

CCCCCCCCOC1=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/C51H48O14/c1-2-3-4-5-6-19-30-58-43-41(52)38-29-28-37(31-39(38)61-50(43)57)60-51-45(65-49(56)36-26-17-10-18-27-36)44(64-48(55)35-24-15-9-16-25-35)42(63-47(54)34-22-13-8-14-23-34)40(62-51)32-59-46(53)33-20-11-7-12-21-33/h7-18,20-29,31,40,42,44-45,51,57H,2-6,19,30,32H2,1H3