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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(CC(=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/c1-2-3-4-5-6-7-12-17-28-37-44(62-47(56)38-29-18-13-8-10-15-22-31-42-33-24-20-25-34-42)40-46(55)53-49-51(50(65-66(59,60)61)45(41-54)63-52(49)58)64-48(57)39-30-19-14-9-11-16-23-32-43-35-26-21-27-36-43/h20-21,24-27,33-36,44-45,49-52,54,58H,2-19,22-23,28-32,37-41H2,1H3,(H,53,55)(H,59,60,61)