sodium 4-[(1R,3S)-1-oxidanyl-3-[(E)-3-oxidanyloct-1-enyl]cyclohexyl]butanoate

Systemtic Name: sodium 4-[(1R,3S)-1-oxidanyl-3-[(E)-3-oxidanyloct-1-enyl]cyclohexyl]butanoate Openeye Name: sodium 4-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]butanoate CAS Name: sodium 4-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]butanoate IUPAC Name: sodium 4-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]butanoate Traditional Name: sodium 4-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]cyclohexyl]butyrate Formula: C18H31NaO4 MolecularWeight: 334.42611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32O4.Na/c1-2-3-4-8-16(19)11-10-15-7-5-12-18(22,14-15)13-6-9-17(20)21;/h10-11,15-16,19,22H,2-9,12-14H2,1H3,(H,20,21);/q;+1/p-1/b11-10+;/t15-,16?,18-;/m1./s1