3,6-bis(chloranyl)-2-methoxy-benzoic acid; N,N-dibutyl-4-chloranyl-benzenesulfonamide

Systemtic Name: 3,6-bis(chloranyl)-2-methoxy-benzoic acid; N,N-dibutyl-4-chloranyl-benzenesulfonamide Openeye Name: N,N-dibutyl-4-chloro-benzenesulfonamide; 3,6-dichloro-2-methoxy-benzoic acid CAS Name: N,N-dibutyl-4-chlorobenzenesulfonamide; 3,6-dichloro-2-methoxybenzoic acid IUPAC Name: N,N-dibutyl-4-chlorobenzenesulfonamide; 3,6-dichloro-2-methoxybenzoic acid Traditional Name: N,N-dibutyl-4-chloro-benzenesulfonamide; 3,6-dichloro-2-methoxy-benzoic acid Formula: C22H28Cl3NO5S MolecularWeight: 524.88542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)Cl.COC1=C(C=CC(=C1C(=O)O)Cl)Cl

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)Cl.COC1=C(C=CC(=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C14H22ClNO2S.C8H6Cl2O3/c1-3-5-11-16(12-6-4-2)19(17,18)14-9-7-13(15)8-10-14;1-13-7-5(10)3-2-4(9)6(7)8(11)12/h7-10H,3-6,11-12H2,1-2H3;2-3H,1H3,(H,11,12)