[2-azanyloxy-6-(hydroxymethyl)-2-[2-(10-phenyldecanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 10-phenyldecanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-[2-(10-phenyldecanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 10-phenyldecanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(10-phenyldecanoyloxy)tetradecanoyl]-5-sulfooxy-tetrahydropyran-4-yl] 10-phenyldecanoate CAS Name: 10-phenyldecanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxo-10-phenyldecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(10-phenyldecanoyloxy)tetradecanoyl]-5-sulfooxyoxan-4-yl] 10-phenyldecanoate Traditional Name: 10-phenylcapric acid [2-aminooxy-6-methylol-2-[2-(10-phenyldecanoyloxy)tetradecanoyl]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C52H83NO12S MolecularWeight: 946.27992

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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)CCCCCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C52H83NO12S/c1-2-3-4-5-6-7-8-13-18-29-38-45(61-48(55)39-30-19-14-9-11-16-23-32-43-34-25-21-26-35-43)51(57)52(65-53)41-46(50(47(42-54)63-52)64-66(58,59)60)62-49(56)40-31-20-15-10-12-17-24-33-44-36-27-22-28-37-44/h21-22,25-28,34-37,45-47,50,54H,2-20,23-24,29-33,38-42,53H2,1H3,(H,58,59,60)