[2-(hydroxymethyl)-6-oxidanyl-5-[2-(10-phenyldecanoyloxy)tetradecanoylamino]-3-sulfooxy-oxan-4-yl] 10-phenyldecanoate

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-[2-(10-phenyldecanoyloxy)tetradecanoylamino]-3-sulfooxy-oxan-4-yl] 10-phenyldecanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-[2-(10-phenyldecanoyloxy)tetradecanoylamino]-5-sulfooxy-tetrahydropyran-4-yl] 10-phenyldecanoate CAS Name: 10-phenyldecanoic acid [2-hydroxy-6-(hydroxymethyl)-3-[[1-oxo-2-(1-oxo-10-phenyldecoxy)tetradecyl]amino]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-3-[2-(10-phenyldecanoyloxy)tetradecanoylamino]-5-sulfooxyoxan-4-yl] 10-phenyldecanoate Traditional Name: 10-phenylcapric acid [2-hydroxy-6-methylol-3-[2-(10-phenyldecanoyloxy)tetradecanoylamino]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C52H83NO12S MolecularWeight: 946.27992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCC2=CC=CC=C2)OC(=O)CCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCC2=CC=CC=C2)OC(=O)CCCCCCCCCC3=CC=CC=C3

InChI

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