sodium 2-[(1R,3S)-1-oxidanyl-3-[(E)-3-oxidanylundec-1-enyl]cyclohexyl]ethanoate

Systemtic Name: sodium 2-[(1R,3S)-1-oxidanyl-3-[(E)-3-oxidanylundec-1-enyl]cyclohexyl]ethanoate Openeye Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetate CAS Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetate IUPAC Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetate Traditional Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetate Formula: C19H33NaO4 MolecularWeight: 348.45269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1CCCC(C1)(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CCCCCCCCC(/C=C/[C@H]1CCC[C@@](C1)(CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C19H34O4.Na/c1-2-3-4-5-6-7-10-17(20)12-11-16-9-8-13-19(23,14-16)15-18(21)22;/h11-12,16-17,20,23H,2-10,13-15H2,1H3,(H,21,22);/q;+1/p-1/b12-11+;/t16-,17?,19-;/m1./s1