4-(3-cyanopropylsulfonyl)benzoic acid

Systemtic Name: 4-(3-cyanopropylsulfonyl)benzoic acid Openeye Name: 4-(3-cyanopropylsulfonyl)benzoic acid CAS Name: 4-(3-cyanopropylsulfonyl)benzoic acid IUPAC Name: 4-(3-cyanopropylsulfonyl)benzoic acid Traditional Name: 4-(3-cyanopropylsulfonyl)benzoic acid Formula: C11H11NO4S MolecularWeight: 253.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CCCC#N

InChI

InChI=1S/C11H11NO4S/c12-7-1-2-8-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6H,1-2,8H2,(H,13,14)