sodium (E)-22-[2-(dioctylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-4-oxidanylidene-docos-2-enoate

Systemtic Name: sodium (E)-22-[2-(dioctylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-4-oxidanylidene-docos-2-enoate Openeye Name: sodium (E)-22-[2-(dioctylamino)-4-hydroxy-4-oxo-butanoyl]oxy-4-oxo-docos-2-enoate CAS Name: sodium (E)-22-[2-(dioctylamino)-4-hydroxy-1,4-dioxobutoxy]-4-oxo-2-docosenoate IUPAC Name: sodium (E)-22-[2-(dioctylamino)-4-hydroxy-4-oxobutanoyl]oxy-4-oxodocos-2-enoate Traditional Name: sodium (E)-22-[2-(dioctylamino)-4-hydroxy-4-keto-butanoyl]oxy-4-keto-docos-2-enoate Formula: C42H76NNaO7 MolecularWeight: 730.04511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCC(=O)C=CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCC(=O)/C=C/C(=O)[O-].[Na+]

InChI

InChI=1S/C42H77NO7.Na/c1-3-5-7-9-24-28-34-43(35-29-25-10-8-6-4-2)39(37-41(47)48)42(49)50-36-30-26-22-20-18-16-14-12-11-13-15-17-19-21-23-27-31-38(44)32-33-40(45)46;/h32-33,39H,3-31,34-37H2,1-2H3,(H,45,46)(H,47,48);/q;+1/p-1/b33-32+;