4,4-dimethyl-7-(prop-2-enoylamino)heptane-1-sulfonic acid

Systemtic Name: 4,4-dimethyl-7-(prop-2-enoylamino)heptane-1-sulfonic acid Openeye Name: 4,4-dimethyl-7-(prop-2-enoylamino)heptane-1-sulfonic acid CAS Name: 4,4-dimethyl-7-(1-oxoprop-2-enylamino)-1-heptanesulfonic acid IUPAC Name: 4,4-dimethyl-7-(prop-2-enoylamino)heptane-1-sulfonic acid Traditional Name: 7-acrylamido-4,4-dimethyl-heptane-1-sulfonic acid Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=O)C=C)CCCS(=O)(=O)O

Isomeric SMILES

CC(C)(CCCNC(=O)C=C)CCCS(=O)(=O)O

InChI

InChI=1S/C12H23NO4S/c1-4-11(14)13-9-5-7-12(2,3)8-6-10-18(15,16)17/h4H,1,5-10H2,2-3H3,(H,13,14)(H,15,16,17)