sodium 3,5-bis[[2,4-bis(azanyl)phenyl]diazenyl]-4-methyl-benzenesulfonate

Systemtic Name: sodium 3,5-bis[[2,4-bis(azanyl)phenyl]diazenyl]-4-methyl-benzenesulfonate Openeye Name: sodium 3,5-bis[(2,4-diaminophenyl)azo]-4-methyl-benzenesulfonate CAS Name: sodium 3,5-bis[(2,4-diaminophenyl)azo]-4-methylbenzenesulfonate IUPAC Name: sodium 3,5-bis[(2,4-diaminophenyl)diazenyl]-4-methylbenzenesulfonate Traditional Name: sodium 3,5-bis[(2,4-diaminophenyl)azo]-4-methyl-besylate Formula: C19H19N8NaO3S MolecularWeight: 462.46073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)N)N.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)N)N.[Na+]

InChI

InChI=1S/C19H20N8O3S.Na/c1-10-18(26-24-16-4-2-11(20)6-14(16)22)8-13(31(28,29)30)9-19(10)27-25-17-5-3-12(21)7-15(17)23;/h2-9H,20-23H2,1H3,(H,28,29,30);/q;+1/p-1