sodium 2-[(E)-octadec-1-enyl]butanedioate

Systemtic Name: sodium 2-[(E)-octadec-1-enyl]butanedioate Openeye Name: sodium 2-[(E)-octadec-1-enyl]butanedioate CAS Name: sodium 2-[(E)-octadec-1-enyl]butanedioate IUPAC Name: sodium 2-[(E)-octadec-1-enyl]butanedioate Traditional Name: sodium 2-[(E)-octadec-1-enyl]succinate Formula: C22H38NaO4- MolecularWeight: 389.52449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC(CC(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(CC(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26);/q;+1/p-2/b18-17+;