sodium; [(1S,2S,3R)-3-sulfooxy-2-tetradecanoyloxy-cyclohexyl] tetradecanoate

Systemtic Name: sodium; [(1S,2S,3R)-3-sulfooxy-2-tetradecanoyloxy-cyclohexyl] tetradecanoate Openeye Name: sodium; [(1S,2S,3R)-3-sulfooxy-2-tetradecanoyloxy-cyclohexyl] tetradecanoate CAS Name: sodium; tetradecanoic acid [(1S,2S,3R)-2-(1-oxotetradecoxy)-3-sulfooxycyclohexyl] ester IUPAC Name: sodium; [(1S,2S,3R)-3-sulfooxy-2-tetradecanoyloxycyclohexyl] tetradecanoate Traditional Name: myristic acid [(1S,2S,3R)-3-sulfoxy-2-tetradecanoyloxy-cyclohexyl] ester; sodium Formula: C34H64NaO8S MolecularWeight: 655.92193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1CCCC(C1OC(=O)CCCCCCCCCCCCC)OS(=O)(=O)O.[Na]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@H]1CCC[C@H]([C@H]1OC(=O)CCCCCCCCCCCCC)OS(=O)(=O)O.[Na]

InChI

InChI=1S/C34H64O8S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-28-32(35)40-30-26-25-27-31(42-43(37,38)39)34(30)41-33(36)29-24-22-20-18-16-14-12-10-8-6-4-2;/h30-31,34H,3-29H2,1-2H3,(H,37,38,39);/t30-,31+,34-;/m0./s1