[2-oxidanylidene-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-7-undecoxy-chromen-3-yl] benzoate

Systemtic Name: [2-oxidanylidene-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-7-undecoxy-chromen-3-yl] benzoate Openeye Name: [2-oxo-4-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-7-undecoxy-chromen-3-yl] benzoate CAS Name: benzoic acid [2-oxo-4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-7-undecoxy-1-benzopyran-3-yl] ester IUPAC Name: [2-oxo-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-7-undecoxychromen-3-yl] benzoate Traditional Name: benzoic acid [2-keto-4-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-7-undecoxy-chromen-3-yl] ester Formula: C41H50O15 MolecularWeight: 782.8267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C41H50O15/c1-6-7-8-9-10-11-12-13-17-22-48-30-20-21-31-32(23-30)53-40(47)37(55-39(46)29-18-15-14-16-19-29)34(31)56-41-38(52-28(5)45)36(51-27(4)44)35(50-26(3)43)33(54-41)24-49-25(2)42/h14-16,18-21,23,33,35-36,38,41H,6-13,17,22,24H2,1-5H3