3-[[4-[(4-azanyl-2-chloranyl-5-methoxy-phenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: 3-[[4-[(4-azanyl-2-chloranyl-5-methoxy-phenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: 3-[[4-(4-amino-2-chloro-5-methoxy-phenyl)azo-6-sulfonato-1-naphthyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: 3-[[4-(4-amino-2-chloro-5-methoxyphenyl)azo-6-sulfonato-1-naphthalenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: 3-[[4-[(4-amino-2-chloro-5-methoxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: 3-[[4-(4-amino-2-chloro-5-methoxy-phenyl)azo-6-sulfonato-1-naphthyl]hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C27H18ClN5O8S2-2 MolecularWeight: 640.04352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N=NC2=C3C=C(C=CC3=C(C=C2)NN=C4C(=CC5=CC=CC=C5C4=O)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)N

Isomeric SMILES

COC1=C(C=C(C(=C1)N=NC2=C3C=C(C=CC3=C(C=C2)NN=C4C(=CC5=CC=CC=C5C4=O)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)N

InChI

InChI=1S/C27H20ClN5O8S2/c1-41-24-13-23(19(28)12-20(24)29)32-30-22-9-8-21(17-7-6-15(11-18(17)22)42(35,36)37)31-33-26-25(43(38,39)40)10-14-4-2-3-5-16(14)27(26)34/h2-13,31H,29H2,1H3,(H,35,36,37)(H,38,39,40)/p-2