2-[[(4-octadecoxy-4-oxidanylidene-3-sulfo-butanoyl)amino]methyl]propanedioic acid

Systemtic Name: 2-[[(4-octadecoxy-4-oxidanylidene-3-sulfo-butanoyl)amino]methyl]propanedioic acid Openeye Name: 2-[[(4-octadecoxy-4-oxo-3-sulfo-butanoyl)amino]methyl]propanedioic acid CAS Name: 2-[[(4-octadecoxy-1,4-dioxo-3-sulfobutyl)amino]methyl]propanedioic acid IUPAC Name: 2-[[(4-octadecoxy-4-oxo-3-sulfobutanoyl)amino]methyl]propanedioic acid Traditional Name: 2-[[(4-keto-4-stearyloxy-3-sulfo-butanoyl)amino]methyl]malonic acid Formula: C26H47NO10S MolecularWeight: 565.71708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)NCC(C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)NCC(C(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-26(33)22(38(34,35)36)19-23(28)27-20-21(24(29)30)25(31)32/h21-22H,2-20H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,34,35,36)