2-[1-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]octadecyl]butanedioic acid

Systemtic Name: 2-[1-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]octadecyl]butanedioic acid Openeye Name: 2-[1-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]octadecyl]butanedioic acid CAS Name: 2-[1-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]octadecyl]butanedioic acid IUPAC Name: 2-[1-[(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]octadecyl]butanedioic acid Traditional Name: 2-[1-[(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]octadecyl]succinic acid Formula: C26H47NO10S MolecularWeight: 565.71708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CC(=O)O)C(=O)O)NC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(CC(=O)O)C(=O)O)NC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20(25(31)32)18-24(29)30)27-23(28)19-22(26(33)34)38(35,36)37/h20-22H,2-19H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)