5-chloranyl-3-(3-cyanopropylsulfonyl)-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-3-(3-cyanopropylsulfonyl)-2-methoxy-benzoic acid Openeye Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-methoxy-benzoic acid CAS Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-methoxybenzoic acid IUPAC Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-methoxybenzoic acid Traditional Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-methoxy-benzoic acid Formula: C12H12ClNO5S MolecularWeight: 317.74538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CCCC#N

InChI

InChI=1S/C12H12ClNO5S/c1-19-11-9(12(15)16)6-8(13)7-10(11)20(17,18)5-3-2-4-14/h6-7H,2-3,5H2,1H3,(H,15,16)