3-(2-azanyl-2-oxidanylidene-1-sulfo-ethyl)henicosane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-1-sulfo-ethyl)henicosane-1,2,3-tricarboxylic acid Openeye Name: 3-(2-amino-2-oxo-1-sulfo-ethyl)henicosane-1,2,3-tricarboxylic acid CAS Name: 3-(2-amino-2-oxo-1-sulfoethyl)heneicosane-1,2,3-tricarboxylic acid IUPAC Name: 3-(2-amino-2-oxo-1-sulfoethyl)henicosane-1,2,3-tricarboxylic acid Traditional Name: 3-(2-amino-2-keto-1-sulfo-ethyl)heneicosane-1,2,3-tricarboxylic acid Formula: C26H47NO10S MolecularWeight: 565.71708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(CC(=O)O)C(=O)O)(C(C(=O)N)S(=O)(=O)O)C(=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(24(31)32)19-21(28)29)22(23(27)30)38(35,36)37/h20,22H,2-19H2,1H3,(H2,27,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36,37)