[2-azanyloxy-6-(hydroxymethyl)-2-[2-(11-phenylundecanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 11-phenylundecanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-[2-(11-phenylundecanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 11-phenylundecanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(11-phenylundecanoyloxy)tetradecanoyl]-5-sulfooxy-tetrahydropyran-4-yl] 11-phenylundecanoate CAS Name: 11-phenylundecanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxo-11-phenylundecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(11-phenylundecanoyloxy)tetradecanoyl]-5-sulfooxyoxan-4-yl] 11-phenylundecanoate Traditional Name: 11-phenylundecanoic acid [2-aminooxy-6-methylol-2-[2-(11-phenylundecanoyloxy)tetradecanoyl]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C54H87NO12S MolecularWeight: 974.33308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C54H87NO12S/c1-2-3-4-5-6-7-8-15-20-31-40-47(63-50(57)41-32-21-16-11-9-13-18-25-34-45-36-27-23-28-37-45)53(59)54(67-55)43-48(52(49(44-56)65-54)66-68(60,61)62)64-51(58)42-33-22-17-12-10-14-19-26-35-46-38-29-24-30-39-46/h23-24,27-30,36-39,47-49,52,56H,2-22,25-26,31-35,40-44,55H2,1H3,(H,60,61,62)