sodium 5-[(4-azanyl-5-ethoxy-2-methyl-phenyl)diazenyl]-2-chloranyl-benzenesulfonate

Systemtic Name: sodium 5-[(4-azanyl-5-ethoxy-2-methyl-phenyl)diazenyl]-2-chloranyl-benzenesulfonate Openeye Name: sodium 5-(4-amino-5-ethoxy-2-methyl-phenyl)azo-2-chloro-benzenesulfonate CAS Name: sodium 5-(4-amino-5-ethoxy-2-methylphenyl)azo-2-chlorobenzenesulfonate IUPAC Name: sodium 5-[(4-amino-5-ethoxy-2-methylphenyl)diazenyl]-2-chlorobenzenesulfonate Traditional Name: sodium 5-(4-amino-5-ethoxy-2-methyl-phenyl)azo-2-chloro-besylate Formula: C15H15ClN3NaO4S MolecularWeight: 391.80507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O4S.Na/c1-3-23-14-8-13(9(2)6-12(14)17)19-18-10-4-5-11(16)15(7-10)24(20,21)22;/h4-8H,3,17H2,1-2H3,(H,20,21,22);/q;+1/p-1