3-aminocarbonyl-4-sulfo-docosane-1,1,4-tricarboxylic acid

Systemtic Name: 3-aminocarbonyl-4-sulfo-docosane-1,1,4-tricarboxylic acid Openeye Name: 3-carbamoyl-4-sulfo-docosane-1,1,4-tricarboxylic acid CAS Name: 3-carbamoyl-4-sulfodocosane-1,1,4-tricarboxylic acid IUPAC Name: 3-carbamoyl-4-sulfodocosane-1,1,4-tricarboxylic acid Traditional Name: 3-carbamoyl-4-sulfo-docosane-1,1,4-tricarboxylic acid Formula: C26H47NO10S MolecularWeight: 565.71708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(CC(C(=O)O)C(=O)O)C(=O)N)(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)34,38(35,36)37)21(22(27)28)19-20(23(29)30)24(31)32/h20-21H,2-19H2,1H3,(H2,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)