2-[[[2-chloranyl-4-[3-chloranyl-4-[methyl-(2-sulfoethyldiazenyl)amino]phenyl]phenyl]-methyl-amino]diazenyl]ethanesulfonic acid

Systemtic Name: 2-[[[2-chloranyl-4-[3-chloranyl-4-[methyl-(2-sulfoethyldiazenyl)amino]phenyl]phenyl]-methyl-amino]diazenyl]ethanesulfonic acid Openeye Name: 2-[2-chloro-4-[3-chloro-4-[methyl(2-sulfoethylazo)amino]phenyl]-N-methyl-anilino]azoethanesulfonic acid CAS Name: 2-[2-chloro-4-[3-chloro-4-[methyl(2-sulfoethylazo)amino]phenyl]-N-methylanilino]azoethanesulfonic acid IUPAC Name: 2-[[2-chloro-4-[3-chloro-4-[methyl-(2-sulfoethyldiazenyl)amino]phenyl]-N-methylanilino]diazenyl]ethanesulfonic acid Traditional Name: 2-[2-chloro-4-[3-chloro-4-[methyl(2-sulfoethylazo)amino]phenyl]-N-methyl-anilino]azoethanesulfonic acid Formula: C18H22Cl2N6O6S2 MolecularWeight: 553.43988

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C2=CC(=C(C=C2)N(C)N=NCCS(=O)(=O)O)Cl)Cl)N=NCCS(=O)(=O)O

Isomeric SMILES

CN(C1=C(C=C(C=C1)C2=CC(=C(C=C2)N(C)N=NCCS(=O)(=O)O)Cl)Cl)N=NCCS(=O)(=O)O

InChI

InChI=1S/C18H22Cl2N6O6S2/c1-25(23-21-7-9-33(27,28)29)17-5-3-13(11-15(17)19)14-4-6-18(16(20)12-14)26(2)24-22-8-10-34(30,31)32/h3-6,11-12H,7-10H2,1-2H3,(H,27,28,29)(H,30,31,32)