3-aminocarbonyl-2-octyl-2-sulfo-undecanoic acid

Systemtic Name: 3-aminocarbonyl-2-octyl-2-sulfo-undecanoic acid Openeye Name: 3-carbamoyl-2-octyl-2-sulfo-undecanoic acid CAS Name: 3-carbamoyl-2-octyl-2-sulfoundecanoic acid IUPAC Name: 3-carbamoyl-2-octyl-2-sulfoundecanoic acid Traditional Name: 3-carbamoyl-2-octyl-2-sulfo-undecanoic acid Formula: C20H39NO6S MolecularWeight: 421.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)N)C(CCCCCCCC)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(C(=O)N)C(CCCCCCCC)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H39NO6S/c1-3-5-7-9-11-13-15-17(18(21)22)20(19(23)24,28(25,26)27)16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,21,22)(H,23,24)(H,25,26,27)