sodium 3-[2-[2-[(E)-octadec-2-en-9-yl]imidazol-1-yl]ethoxy]propanoate

Systemtic Name: sodium 3-[2-[2-[(E)-octadec-2-en-9-yl]imidazol-1-yl]ethoxy]propanoate Openeye Name: sodium 3-[2-[2-[1-[(E)-oct-6-enyl]decyl]imidazol-1-yl]ethoxy]propanoate CAS Name: sodium 3-[2-[2-[(E)-octadec-2-en-9-yl]-1-imidazolyl]ethoxy]propanoate IUPAC Name: sodium 3-[2-[2-[(E)-octadec-2-en-9-yl]imidazol-1-yl]ethoxy]propanoate Traditional Name: sodium 3-[2-[2-[(E)-1-nonylnon-7-enyl]imidazol-1-yl]ethoxy]propionate Formula: C26H45N2NaO3 MolecularWeight: 456.63687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC=CC)C1=NC=CN1CCOCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCC/C=C/C)C1=NC=CN1CCOCCC(=O)[O-].[Na+]

InChI

InChI=1S/C26H46N2O3.Na/c1-3-5-7-9-11-13-15-17-24(16-14-12-10-8-6-4-2)26-27-19-20-28(26)21-23-31-22-18-25(29)30;/h4,6,19-20,24H,3,5,7-18,21-23H2,1-2H3,(H,29,30);/q;+1/p-1/b6-4+;