2-[hexadecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid

Systemtic Name: 2-[hexadecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid Openeye Name: 2-[hexadecyl-(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]butanedioic acid CAS Name: 2-[hexadecyl-(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]butanedioic acid IUPAC Name: 2-[hexadecyl-(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]butanedioic acid Traditional Name: 2-[cetyl-(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]succinic acid Formula: C24H43NO10S MolecularWeight: 537.66392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H43NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(19(23(29)30)17-22(27)28)21(26)18-20(24(31)32)36(33,34)35/h19-20H,2-18H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34,35)