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

Systemtic Name: sodium 2-[(E)-hexadec-1-enyl]butanedioate Openeye Name: sodium 2-[(E)-hexadec-1-enyl]butanedioate CAS Name: sodium 2-[(E)-hexadec-1-enyl]butanedioate IUPAC Name: sodium 2-[(E)-hexadec-1-enyl]butanedioate Traditional Name: sodium 2-[(E)-hexadec-1-enyl]succinate Formula: C20H34NaO4- MolecularWeight: 361.47133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;/h15-16,18H,2-14,17H2,1H3,(H,21,22)(H,23,24);/q;+1/p-2/b16-15+;