lithium 2-[(E)-docos-1-enyl]pentanedioate

Systemtic Name: lithium 2-[(E)-docos-1-enyl]pentanedioate Openeye Name: lithium 2-[(E)-docos-1-enyl]pentanedioate CAS Name: lithium 2-[(E)-docos-1-enyl]pentanedioate IUPAC Name: lithium 2-[(E)-docos-1-enyl]pentanedioate Traditional Name: lithium 2-[(E)-docos-1-enyl]glutarate Formula: C27H48LiO4- MolecularWeight: 443.60862

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCCCCCCCCCCCCCC=CC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

[Li+].CCCCCCCCCCCCCCCCCCCC/C=C/C(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C27H50O4.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27(30)31)23-24-26(28)29;/h21-22,25H,2-20,23-24H2,1H3,(H,28,29)(H,30,31);/q;+1/p-2/b22-21+;