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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO3PS/c1-3-12(18(14,15)16)17(10(2)9-13)11-7-5-4-6-8-11/h4-8,10,12H,3H2,1-2H3,(H,14,15,16)