trisodium 9,10-bis(oxidanyl)octadecanoate

Systemtic Name: trisodium 9,10-bis(oxidanyl)octadecanoate Openeye Name: trisodium 9,10-dihydroxyoctadecanoate CAS Name: trisodium 9,10-dihydroxyoctadecanoate IUPAC Name: trisodium 9,10-dihydroxyoctadecanoate Traditional Name: trisodium 9,10-dihydroxystearate Formula: C54H105Na3O12 MolecularWeight: 1015.37361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/3C18H36O4.3Na/c3*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;;;/h3*16-17,19-20H,2-15H2,1H3,(H,21,22);;;/q;;;3*+1/p-3