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

Systemtic Name: [5-[(3,4-didecoxyphenyl)carbonylamino]-2-(hydroxymethyl)-6-methoxy-3-sulfooxy-oxan-4-yl] tetradecanoate Openeye Name: [5-[(3,4-didecoxybenzoyl)amino]-2-(hydroxymethyl)-6-methoxy-3-sulfooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [5-[[(3,4-didecoxyphenyl)-oxomethyl]amino]-2-(hydroxymethyl)-6-methoxy-3-sulfooxy-4-oxanyl] ester IUPAC Name: [5-[(3,4-didecoxybenzoyl)amino]-2-(hydroxymethyl)-6-methoxy-3-sulfooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [3-[(3,4-didecoxybenzoyl)amino]-2-methoxy-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C48H85NO12S MolecularWeight: 900.253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H85NO12S/c1-5-8-11-14-17-20-21-22-23-26-29-32-43(51)60-46-44(48(56-4)59-42(38-50)45(46)61-62(53,54)55)49-47(52)39-33-34-40(57-35-30-27-24-18-15-12-9-6-2)41(37-39)58-36-31-28-25-19-16-13-10-7-3/h33-34,37,42,44-46,48,50H,5-32,35-36,38H2,1-4H3,(H,49,52)(H,53,54,55)