[2-(hydroxymethyl)-6-oxidanyl-5-[[9-phenyl-3-(9-phenylnonanoyloxy)nonanoyl]amino]-3-sulfooxy-oxan-4-yl] 9-phenylnonanoate

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-[[9-phenyl-3-(9-phenylnonanoyloxy)nonanoyl]amino]-3-sulfooxy-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-[[9-phenyl-3-(9-phenylnonanoyloxy)nonanoyl]amino]-5-sulfooxy-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-hydroxy-6-(hydroxymethyl)-3-[[1-oxo-3-(1-oxo-9-phenylnonoxy)-9-phenylnonyl]amino]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-3-[[9-phenyl-3-(9-phenylnonanoyloxy)nonanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-hydroxy-6-methylol-3-[[9-phenyl-3-(9-phenylnonanoyloxy)nonanoyl]amino]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C51H73NO12S MolecularWeight: 924.18982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC(=O)OC2C(C(OC(C2OS(=O)(=O)O)CO)O)NC(=O)CC(CCCCCCC3=CC=CC=C3)OC(=O)CCCCCCCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC(=O)OC2C(C(OC(C2OS(=O)(=O)O)CO)O)NC(=O)CC(CCCCCCC3=CC=CC=C3)OC(=O)CCCCCCCCC4=CC=CC=C4

InChI

InChI=1S/C51H73NO12S/c53-39-44-49(64-65(58,59)60)50(63-47(56)37-25-8-4-2-6-15-27-41-31-19-12-20-32-41)48(51(57)62-44)52-45(54)38-43(35-23-10-9-16-28-42-33-21-13-22-34-42)61-46(55)36-24-7-3-1-5-14-26-40-29-17-11-18-30-40/h11-13,17-22,29-34,43-44,48-51,53,57H,1-10,14-16,23-28,35-39H2,(H,52,54)(H,58,59,60)