sodium (E)-2-methyl-12-oxidanyl-octadec-9-enoate sulfate

Systemtic Name: sodium (E)-2-methyl-12-oxidanyl-octadec-9-enoate sulfate Openeye Name: sodium (E)-12-hydroxy-2-methyl-octadec-9-enoate sulfate CAS Name: sodium (E)-12-hydroxy-2-methyl-9-octadecenoate sulfate IUPAC Name: sodium (E)-12-hydroxy-2-methyloctadec-9-enoate sulfate Traditional Name: sodium (E)-12-hydroxy-2-methyl-octadec-9-enoate sulfate Formula: C19H35NaO7S-2 MolecularWeight: 430.53177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C)C(=O)[O-])O.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C)C(=O)[O-])O.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H36O3.Na.H2O4S/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17(2)19(21)22;;1-5(2,3)4/h10,13,17-18,20H,3-9,11-12,14-16H2,1-2H3,(H,21,22);;(H2,1,2,3,4)/q;+1;/p-3/b13-10+;;