trisodium (3E)-3-[[4-[(4-chloranyl-2-sulfonato-phenyl)diazenyl]-2-methoxy-6-sulfonato-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonate

Systemtic Name: trisodium (3E)-3-[[4-[(4-chloranyl-2-sulfonato-phenyl)diazenyl]-2-methoxy-6-sulfonato-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonate Openeye Name: trisodium (3E)-7-anilino-3-[[4-(4-chloro-2-sulfonato-phenyl)azo-2-methoxy-6-sulfonato-1-naphthyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: trisodium (3E)-7-anilino-3-[[4-(4-chloro-2-sulfonatophenyl)azo-2-methoxy-6-sulfonato-1-naphthalenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: trisodium (3E)-7-anilino-3-[[4-[(4-chloro-2-sulfonatophenyl)diazenyl]-2-methoxy-6-sulfonatonaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: trisodium (3E)-7-anilino-3-[[4-(4-chloro-2-sulfonato-phenyl)azo-2-methoxy-6-sulfonato-1-naphthyl]hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C33H21ClN5Na3O11S3 MolecularWeight: 864.16405

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N=NC3=C(C=C(C=C3)Cl)S(=O)(=O)[O-])NN=C4C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N=NC3=C(C=C(C=C3)Cl)S(=O)(=O)[O-])N/N=C\4/C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C33H24ClN5O11S3.3Na/c1-50-28-17-27(37-36-26-12-7-19(34)15-29(26)52(44,45)46)25-16-22(51(41,42)43)9-11-24(25)31(28)38-39-32-30(53(47,48)49)14-18-13-21(8-10-23(18)33(32)40)35-20-5-3-2-4-6-20;;;/h2-17,35,38H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b37-36?,39-32-;;;