4-(prop-2-ynylamino)benzenesulfonic acid

Systemtic Name: 4-(prop-2-ynylamino)benzenesulfonic acid Openeye Name: 4-(prop-2-ynylamino)benzenesulfonic acid CAS Name: 4-(prop-2-ynylamino)benzenesulfonic acid IUPAC Name: 4-(prop-2-ynylamino)benzenesulfonic acid Traditional Name: 4-(propargylamino)besylic acid Formula: C9H9NO3S MolecularWeight: 211.23766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C#CCNC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H9NO3S/c1-2-7-10-8-3-5-9(6-4-8)14(11,12)13/h1,3-6,10H,7H2,(H,11,12,13)