[5-[(3,4-didecoxyphenyl)carbonylamino]-2-(hydroxymethyl)-6-oxidanyl-3-sulfooxy-oxan-4-yl] tetradecanoate

Systemtic Name: [5-[(3,4-didecoxyphenyl)carbonylamino]-2-(hydroxymethyl)-6-oxidanyl-3-sulfooxy-oxan-4-yl] tetradecanoate Openeye Name: [3-[(3,4-didecoxybenzoyl)amino]-2-hydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [3-[[(3,4-didecoxyphenyl)-oxomethyl]amino]-2-hydroxy-6-(hydroxymethyl)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [3-[(3,4-didecoxybenzoyl)amino]-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [3-[(3,4-didecoxybenzoyl)amino]-2-hydroxy-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C47H83NO12S MolecularWeight: 886.22642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OS(=O)(=O)O)CO)O)NC(=O)C2=CC(=C(C=C2)OCCCCCCCCCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OS(=O)(=O)O)CO)O)NC(=O)C2=CC(=C(C=C2)OCCCCCCCCCC)OCCCCCCCCCC

InChI

InChI=1S/C47H83NO12S/c1-4-7-10-13-16-19-20-21-22-25-28-31-42(50)59-45-43(47(52)58-41(37-49)44(45)60-61(53,54)55)48-46(51)38-32-33-39(56-34-29-26-23-17-14-11-8-5-2)40(36-38)57-35-30-27-24-18-15-12-9-6-3/h32-33,36,41,43-45,47,49,52H,4-31,34-35,37H2,1-3H3,(H,48,51)(H,53,54,55)