dipotassium (E)-12-sulfooxyoctadec-9-enoic acid

Systemtic Name: dipotassium (E)-12-sulfooxyoctadec-9-enoic acid Openeye Name: dipotassium (E)-12-sulfooxyoctadec-9-enoic acid CAS Name: dipotassium (E)-12-sulfooxy-9-octadecenoic acid IUPAC Name: dipotassium (E)-12-sulfooxyoctadec-9-enoic acid Traditional Name: dipotassium (E)-12-sulfoxyoctadec-9-enoic acid Formula: C18H34K2O6S+2 MolecularWeight: 456.72056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O.[K+].[K+]

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)O)OS(=O)(=O)O.[K+].[K+]

InChI

InChI=1S/C18H34O6S.2K/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/b12-9+;;