2-methyl-6-[(5-methyl-5-sulfo-hexyl)carbamothioylamino]hexane-2-sulfonic acid

Systemtic Name: 2-methyl-6-[(5-methyl-5-sulfo-hexyl)carbamothioylamino]hexane-2-sulfonic acid Openeye Name: 2-methyl-6-[(5-methyl-5-sulfo-hexyl)carbamothioylamino]hexane-2-sulfonic acid CAS Name: 2-methyl-6-[[[(5-methyl-5-sulfohexyl)amino]-sulfanylidenemethyl]amino]-2-hexanesulfonic acid IUPAC Name: 2-methyl-6-[(5-methyl-5-sulfohexyl)carbamothioylamino]hexane-2-sulfonic acid Traditional Name: 2-methyl-6-[(5-methyl-5-sulfo-hexyl)thiocarbamoylamino]hexane-2-sulfonic acid Formula: C15H32N2O6S3 MolecularWeight: 432.61938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCNC(=S)NCCCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCCCNC(=S)NCCCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H32N2O6S3/c1-14(2,25(18,19)20)9-5-7-11-16-13(24)17-12-8-6-10-15(3,4)26(21,22)23/h5-12H2,1-4H3,(H2,16,17,24)(H,18,19,20)(H,21,22,23)