2-[[4-(diethylamino)phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid

Systemtic Name: 2-[[4-(diethylamino)phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Openeye Name: 2-[4-(diethylamino)phenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid CAS Name: 2-[4-(diethylamino)phenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid IUPAC Name: 2-[[4-(diethylamino)phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Traditional Name: 2-[4-(diethylamino)phenyl]azo-4-(2-sulfoxyethylsulfonyl)benzoic acid Formula: C19H23N3O8S2 MolecularWeight: 485.53122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C19H23N3O8S2/c1-3-22(4-2)15-7-5-14(6-8-15)20-21-18-13-16(9-10-17(18)19(23)24)31(25,26)12-11-30-32(27,28)29/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24)(H,27,28,29)