[2-azanyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(9-phenylnonanoyloxy)-5-sulfooxy-2-tetradecanoyl-oxan-4-yl] 9-phenylnonanoate

Systemtic Name: [2-azanyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(9-phenylnonanoyloxy)-5-sulfooxy-2-tetradecanoyl-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-aminooxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(9-phenylnonanoyloxy)-5-sulfooxy-2-tetradecanoyl-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-aminooxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-oxo-9-phenylnonoxy)-2-(1-oxotetradecyl)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(9-phenylnonanoyloxy)-5-sulfooxy-2-tetradecanoyloxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-aminooxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(9-phenylnonanoyloxy)-5-sulfoxy-2-tetradecanoyl-tetrahydropyran-4-yl] ester Formula: C56H93NO12SSi MolecularWeight: 1032.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC=C2)OC(=O)CCCCCCCCC3=CC=CC=C3)ON

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC=C2)OC(=O)CCCCCCCCC3=CC=CC=C3)ON

InChI

InChI=1S/C56H93NO12SSi/c1-7-8-9-10-11-12-13-14-15-22-33-42-49(58)56(69-57)54(66-51(60)44-35-24-19-17-21-28-37-47-40-31-26-32-41-47)53(52(68-70(61,62)63)48(67-56)45-64-71(5,6)55(2,3)4)65-50(59)43-34-23-18-16-20-27-36-46-38-29-25-30-39-46/h25-26,29-32,38-41,48,52-54H,7-24,27-28,33-37,42-45,57H2,1-6H3,(H,61,62,63)