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

Systemtic Name: sodium 4-chloranyl-3-[[4-[(4-ethoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-chloro-3-[4-(4-ethoxyphenyl)azophenyl]azo-benzenesulfonate CAS Name: sodium 4-chloro-3-[4-(4-ethoxyphenyl)azophenyl]azobenzenesulfonate IUPAC Name: sodium 4-chloro-3-[[4-[(4-ethoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 4-chloro-3-(4-p-phenetylazophenyl)azo-besylate Formula: C20H16ClN4NaO4S MolecularWeight: 466.87321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCOC1=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/C20H17ClN4O4S.Na/c1-2-29-17-9-7-16(8-10-17)23-22-14-3-5-15(6-4-14)24-25-20-13-18(30(26,27)28)11-12-19(20)21;/h3-13H,2H2,1H3,(H,26,27,28);/q;+1/p-1