3-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(trioxidanylsulfanyl)phenyl]azonaphthalene-1,5-disulfonic acid CAS Name: 3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(trioxidanylthio)phenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[4-[(4,6-dichloro-s-triazin-2-yl)amino]-2-(trioxidanylthio)phenyl]azonaphthalene-1,5-disulfonic acid Formula: C19H12Cl2N6O9S3 MolecularWeight: 635.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)Cl)SOOO)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)Cl)SOOO)S(=O)(=O)O

InChI

InChI=1S/C19H12Cl2N6O9S3/c20-17-23-18(21)25-19(24-17)22-9-4-5-13(14(7-9)37-36-35-28)27-26-10-6-12-11(16(8-10)39(32,33)34)2-1-3-15(12)38(29,30)31/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)