2,2-dioctyl-3-sulfo-butanedioate; 2-[dodecanoyl(methyl)amino]ethanoate

Systemtic Name: 2,2-dioctyl-3-sulfo-butanedioate; 2-[dodecanoyl(methyl)amino]ethanoate Openeye Name: 2,2-dioctyl-3-sulfo-butanedioate; 2-[dodecanoyl(methyl)amino]acetate CAS Name: 2,2-dioctyl-3-sulfobutanedioate; 2-[methyl(1-oxododecyl)amino]acetate IUPAC Name: 2,2-dioctyl-3-sulfobutanedioate; 2-[dodecanoyl(methyl)amino]acetate Traditional Name: 2,2-dioctyl-3-sulfo-succinate; 2-[lauroyl(methyl)amino]acetate Formula: C35H64NO10S-3 MolecularWeight: 690.94836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].CCCCCCCCC(CCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].CCCCCCCCC(CCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C20H38O7S.C15H29NO3/c1-3-5-7-9-11-13-15-20(19(23)24,16-14-12-10-8-6-4-2)17(18(21)22)28(25,26)27;1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h17H,3-16H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27);3-13H2,1-2H3,(H,18,19)/p-3