5-[[2-methoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzenesulfonic acid

Systemtic Name: 5-[[2-methoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzenesulfonic acid Openeye Name: 5-[2-methoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(methylamino)benzenesulfonic acid CAS Name: 5-[2-methoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(methylamino)benzenesulfonic acid IUPAC Name: 5-[[2-methoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzenesulfonic acid Traditional Name: 5-[2-methoxy-4-(2-sulfoxyethylsulfonyl)phenyl]azo-2-(methylamino)besylic acid Formula: C16H19N3O10S3 MolecularWeight: 509.53116

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)OC)S(=O)(=O)O

Isomeric SMILES

CNC1=C(C=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)OC)S(=O)(=O)O

InChI

InChI=1S/C16H19N3O10S3/c1-17-14-5-3-11(9-16(14)31(22,23)24)18-19-13-6-4-12(10-15(13)28-2)30(20,21)8-7-29-32(25,26)27/h3-6,9-10,17H,7-8H2,1-2H3,(H,22,23,24)(H,25,26,27)