disodium (Z,12R)-12-sulfooxyoctadec-9-enoate

Systemtic Name: disodium (Z,12R)-12-sulfooxyoctadec-9-enoate Openeye Name: disodium (Z,12R)-12-sulfooxyoctadec-9-enoate CAS Name: disodium (Z,12R)-12-sulfooxy-9-octadecenoate IUPAC Name: disodium (Z,12R)-12-sulfooxyoctadec-9-enoate Traditional Name: disodium (Z,12R)-12-sulfoxyoctadec-9-enoate Formula: C18H33Na2O6S+ MolecularWeight: 423.49556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])OS(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C18H34O6S.2Na/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/p-1/b12-9-;;/t17-;;/m1../s1