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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(25(33)34,20-23(29)30)27-22(28)19-21(24(31)32)38(35,36)37/h21H,2-20H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)