sodium; 2-hexadecyl-18-methyl-3-oxidanylidene-nonadecanoate; 2-(1-octadecanoyloxy-2-oxidanyl-ethyl)-4-oxidanyl-oxolan-3-olate

Systemtic Name: sodium; 2-hexadecyl-18-methyl-3-oxidanylidene-nonadecanoate; 2-(1-octadecanoyloxy-2-oxidanyl-ethyl)-4-oxidanyl-oxolan-3-olate Openeye Name: sodium; 2-hexadecyl-18-methyl-3-oxo-nonadecanoate; 4-hydroxy-2-(2-hydroxy-1-octadecanoyloxy-ethyl)tetrahydrofuran-3-olate CAS Name: sodium; 2-hexadecyl-18-methyl-3-oxononadecanoate; 4-hydroxy-2-[2-hydroxy-1-(1-oxooctadecoxy)ethyl]-3-oxolanolate IUPAC Name: sodium; 2-hexadecyl-18-methyl-3-oxononadecanoate; 4-hydroxy-2-(2-hydroxy-1-octadecanoyloxyethyl)oxolan-3-olate Traditional Name: sodium; 2-cetyl-3-keto-18-methyl-nonadecanoate; 4-hydroxy-2-(2-hydroxy-1-stearoyloxy-ethyl)tetrahydrofuran-3-olate Formula: C60H113NaO9-2 MolecularWeight: 1001.52359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)C1C(C(CO1)O)[O-].CCCCCCCCCCCCCCCC[C-](C(=O)CCCCCCCCCCCCCCC(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)C1C(C(CO1)O)[O-].CCCCCCCCCCCCCCCC[C-](C(=O)CCCCCCCCCCCCCCC(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C36H69O3.C24H45O6.Na/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34(36(38)39)35(37)32-29-26-23-20-17-14-13-15-18-21-24-27-30-33(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-21(18-25)24-23(28)20(26)19-29-24;/h33H,4-32H2,1-3H3,(H,38,39);20-21,23-26H,2-19H2,1H3;/q2*-1;+1/p-1