N,N-dibutylbutan-1-amine; 2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid

Systemtic Name: N,N-dibutylbutan-1-amine; 2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid Openeye Name: N,N-dibutylbutan-1-amine; 2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid CAS Name: N,N-dibutyl-1-butanamine; 2-methyl-3-(1-oxoprop-2-enylamino)-1-propanesulfonic acid IUPAC Name: N,N-dibutylbutan-1-amine; 2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid Traditional Name: 3-acrylamido-2-methyl-propane-1-sulfonic acid; tributylamine Formula: C19H40N2O4S MolecularWeight: 392.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC.CC(CNC(=O)C=C)CS(=O)(=O)O

Isomeric SMILES

CCCCN(CCCC)CCCC.CC(CNC(=O)C=C)CS(=O)(=O)O

InChI

InChI=1S/C12H27N.C7H13NO4S/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-7(9)8-4-6(2)5-13(10,11)12/h4-12H2,1-3H3;3,6H,1,4-5H2,2H3,(H,8,9)(H,10,11,12)