1-[2-cyanoethyl(phenyl)phosphanyl]propane-1-sulfonic acid

Systemtic Name: 1-[2-cyanoethyl(phenyl)phosphanyl]propane-1-sulfonic acid Openeye Name: 1-[2-cyanoethyl(phenyl)phosphanyl]propane-1-sulfonic acid CAS Name: 1-[2-cyanoethyl(phenyl)phosphino]-1-propanesulfonic acid IUPAC Name: 1-[2-cyanoethyl(phenyl)phosphanyl]propane-1-sulfonic acid Traditional Name: 1-[2-cyanoethyl(phenyl)phosphino]propane-1-sulfonic acid Formula: C12H16NO3PS MolecularWeight: 285.299101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(P(CCC#N)C1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCC(P(CCC#N)C1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C12H16NO3PS/c1-2-12(18(14,15)16)17(10-6-9-13)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,10H2,1H3,(H,14,15,16)