[3-sulfooxy-5-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] tetradecanoate

Systemtic Name: [3-sulfooxy-5-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] tetradecanoate Openeye Name: [3-sulfooxy-5-(3-tetradecanoyloxytetradecanoylamino)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [3-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [3-sulfooxy-5-(3-tetradecanoyloxytetradecanoylamino)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [3-sulfoxy-5-(3-tetradecanoyloxytetradecanoylamino)tetrahydropyran-4-yl] ester Formula: C47H89NO10S MolecularWeight: 860.27526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(COCC1OS(=O)(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(COCC1OS(=O)(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C47H89NO10S/c1-4-7-10-13-16-19-21-24-27-30-33-36-45(50)56-41(35-32-29-26-23-18-15-12-9-6-3)38-44(49)48-42-39-55-40-43(58-59(52,53)54)47(42)57-46(51)37-34-31-28-25-22-20-17-14-11-8-5-2/h41-43,47H,4-40H2,1-3H3,(H,48,49)(H,52,53,54)