2-methylidene-5-oxidanyl-pentanoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid

Systemtic Name: 2-methylidene-5-oxidanyl-pentanoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid Openeye Name: 5-hydroxy-2-methylene-pentanoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid CAS Name: 5-hydroxy-2-methylenepentanoic acid; 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonic acid IUPAC Name: 5-hydroxy-2-methylidenepentanoic acid; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid Traditional Name: 2-acrylamido-2-methyl-propane-1-sulfonic acid; 2-(3-hydroxypropyl)acrylic acid Formula: C13H23NO7S MolecularWeight: 337.38922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)NC(=O)C=C.C=C(CCCO)C(=O)O

Isomeric SMILES

CC(C)(CS(=O)(=O)O)NC(=O)C=C.C=C(CCCO)C(=O)O

InChI

InChI=1S/C7H13NO4S.C6H10O3/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-5(6(8)9)3-2-4-7/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);7H,1-4H2,(H,8,9)