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

Systemtic Name: sodium 2-[(1R,3S)-1-oxidanyl-3-[(E)-3-oxidanyloct-1-enyl]cyclohexyl]ethanoate Openeye Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]acetate CAS Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]acetate IUPAC Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]acetate Traditional Name: sodium 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]acetate Formula: C16H27NaO4 MolecularWeight: 306.37295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28O4.Na/c1-2-3-4-7-14(17)9-8-13-6-5-10-16(20,11-13)12-15(18)19;/h8-9,13-14,17,20H,2-7,10-12H2,1H3,(H,18,19);/q;+1/p-1/b9-8+;/t13-,14?,16-;/m1./s1