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

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-[[9-phenyl-2-(9-phenylnonanoyloxy)nonanoyl]amino]-3-sulfooxy-oxan-4-yl] 9-phenylnonanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-[[9-phenyl-2-(9-phenylnonanoyloxy)nonanoyl]amino]-5-sulfooxy-tetrahydropyran-4-yl] 9-phenylnonanoate CAS Name: 9-phenylnonanoic acid [2-hydroxy-6-(hydroxymethyl)-3-[[1-oxo-2-(1-oxo-9-phenylnonoxy)-9-phenylnonyl]amino]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-3-[[9-phenyl-2-(9-phenylnonanoyloxy)nonanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate Traditional Name: 9-phenylpelargonic acid [2-hydroxy-6-methylol-3-[[9-phenyl-2-(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)C(CCCCCCCC3=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)C(CCCCCCCC3=CC=CC=C3)OC(=O)CCCCCCCCC4=CC=CC=C4

InChI

InChI=1S/C51H73NO12S/c53-39-44-48(64-65(58,59)60)49(63-46(55)38-26-11-4-2-7-16-28-41-32-20-13-21-33-41)47(51(57)62-44)52-50(56)43(36-24-9-5-8-17-29-42-34-22-14-23-35-42)61-45(54)37-25-10-3-1-6-15-27-40-30-18-12-19-31-40/h12-14,18-23,30-35,43-44,47-49,51,53,57H,1-11,15-17,24-29,36-39H2,(H,52,56)(H,58,59,60)