7-acetamido-3-[[4-[(4-chloranyl-2-sulfonato-phenyl)diazenyl]-2,5-dimethyl-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: 7-acetamido-3-[[4-[(4-chloranyl-2-sulfonato-phenyl)diazenyl]-2,5-dimethyl-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: 7-acetamido-3-[[4-(4-chloro-2-sulfonato-phenyl)azo-2,5-dimethyl-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: 7-acetamido-3-[[4-(4-chloro-2-sulfonatophenyl)azo-2,5-dimethylphenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: 7-acetamido-3-[[4-[(4-chloro-2-sulfonatophenyl)diazenyl]-2,5-dimethylphenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: 7-acetamido-3-[[4-(4-chloro-2-sulfonato-phenyl)azo-2,5-dimethyl-phenyl]hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C26H20ClN5O8S2-2 MolecularWeight: 630.0487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C)S(=O)(=O)[O-])C)N=NC4=C(C=C(C=C4)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C)S(=O)(=O)[O-])C)N=NC4=C(C=C(C=C4)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C26H22ClN5O8S2/c1-13-9-22(14(2)8-21(13)30-29-20-7-4-17(27)12-23(20)41(35,36)37)31-32-25-24(42(38,39)40)11-16-10-18(28-15(3)33)5-6-19(16)26(25)34/h4-12,31H,1-3H3,(H,28,33)(H,35,36,37)(H,38,39,40)/p-2