sodium 4-chloranyl-3-[[4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-chloranyl-3-[[4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-chloro-3-[4-(4-methoxyphenyl)azophenyl]azo-benzenesulfonate CAS Name: sodium 4-chloro-3-[4-(4-methoxyphenyl)azophenyl]azobenzenesulfonate IUPAC Name: sodium 4-chloro-3-[[4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 4-chloro-3-[4-(4-methoxyphenyl)azophenyl]azo-besylate Formula: C19H14ClN4NaO4S MolecularWeight: 452.84663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C19H15ClN4O4S.Na/c1-28-16-8-6-15(7-9-16)22-21-13-2-4-14(5-3-13)23-24-19-12-17(29(25,26)27)10-11-18(19)20;/h2-12H,1H3,(H,25,26,27);/q;+1/p-1