trisodium; dodecane; octadecanoate; sulfate

Systemtic Name: trisodium; dodecane; octadecanoate; sulfate Openeye Name: trisodium; dodecane; octadecanoate; sulfate CAS Name: trisodium; dodecane; octadecanoate; sulfate IUPAC Name: trisodium; dodecane; octadecanoate; sulfate Traditional Name: trisodium; dodecane; stearate; sulfate Formula: C30H60Na3O6S- MolecularWeight: 617.82811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC[CH2-].CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H36O2.C12H25.3Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9-11-12-10-8-6-4-2;;;;1-5(2,3)4/h2-17H2,1H3,(H,19,20);1,3-12H2,2H3;;;;(H2,1,2,3,4)/q;-1;3*+1;/p-3