2-[octadecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid; sodium

Systemtic Name: 2-[octadecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid; sodium Openeye Name: 2-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)-octadecyl-amino]butanedioic acid; sodium CAS Name: 2-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)-octadecylamino]butanedioic acid; sodium IUPAC Name: 2-[(4-hydroxy-4-oxo-3-sulfobutanoyl)-octadecylamino]butanedioic acid; sodium Traditional Name: 2-[(4-hydroxy-4-keto-3-sulfo-butanoyl)-stearyl-amino]succinic acid; sodium Formula: C26H47NNaO10S MolecularWeight: 588.70685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O.[Na]

InChI

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