sodium (E)-2,2,3,3-tetramethyloctadec-9-enoate

Systemtic Name: sodium (E)-2,2,3,3-tetramethyloctadec-9-enoate Openeye Name: sodium (E)-2,2,3,3-tetramethyloctadec-9-enoate CAS Name: sodium (E)-2,2,3,3-tetramethyl-9-octadecenoate IUPAC Name: sodium (E)-2,2,3,3-tetramethyloctadec-9-enoate Traditional Name: sodium (E)-2,2,3,3-tetramethyloctadec-9-enoate Formula: C22H41NaO2 MolecularWeight: 360.54951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCC(C)(C)C(C)(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H42O2.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2,3)22(4,5)20(23)24;/h13-14H,6-12,15-19H2,1-5H3,(H,23,24);/q;+1/p-1/b14-13+;