sodium (E)-6-[3-(1-oxidanylhexyl)phenyl]hex-5-enoate

Systemtic Name: sodium (E)-6-[3-(1-oxidanylhexyl)phenyl]hex-5-enoate Openeye Name: sodium (E)-6-[3-(1-hydroxyhexyl)phenyl]hex-5-enoate CAS Name: sodium (E)-6-[3-(1-hydroxyhexyl)phenyl]-5-hexenoate IUPAC Name: sodium (E)-6-[3-(1-hydroxyhexyl)phenyl]hex-5-enoate Traditional Name: sodium (E)-6-[3-(1-hydroxyhexyl)phenyl]hex-5-enoate Formula: C18H25NaO3 MolecularWeight: 312.37907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3.Na/c1-2-3-5-12-17(19)16-11-8-10-15(14-16)9-6-4-7-13-18(20)21;/h6,8-11,14,17,19H,2-5,7,12-13H2,1H3,(H,20,21);/q;+1/p-1/b9-6+;