sodium (Z)-4-[2-[2-hydroxyethyl(octadec-9-enoyl)amino]ethoxy]-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (Z)-4-[2-[2-hydroxyethyl(octadec-9-enoyl)amino]ethoxy]-4-oxidanylidene-but-2-enoate Openeye Name: sodium (Z)-4-[2-[2-hydroxyethyl(octadec-9-enoyl)amino]ethoxy]-4-oxo-but-2-enoate CAS Name: sodium (Z)-4-[2-[2-hydroxyethyl(1-oxooctadec-9-enyl)amino]ethoxy]-4-oxo-2-butenoate IUPAC Name: sodium (Z)-4-[2-[2-hydroxyethyl(octadec-9-enoyl)amino]ethoxy]-4-oxobut-2-enoate Traditional Name: sodium (Z)-4-[2-[2-hydroxyethyl(octadec-9-enoyl)amino]ethoxy]-4-keto-but-2-enoate Formula: C26H44NNaO6 MolecularWeight: 489.62043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCOC(=O)C=CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCOC(=O)/C=C\C(=O)[O-].[Na+]

InChI

InChI=1S/C26H45NO6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(20-22-28)21-23-33-26(32)19-18-25(30)31;/h9-10,18-19,28H,2-8,11-17,20-23H2,1H3,(H,30,31);/q;+1/p-1/b10-9?,19-18-;