trisodium (3Z)-6-azanyl-4-oxidanylidene-3-[[4-[(4-phenyldiazenyl-7-sulfonato-naphthalen-1-yl)diazenyl]-6-sulfonato-naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3Z)-6-azanyl-4-oxidanylidene-3-[[4-[(4-phenyldiazenyl-7-sulfonato-naphthalen-1-yl)diazenyl]-6-sulfonato-naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-6-amino-4-oxo-3-[[4-[(4-phenylazo-7-sulfonato-1-naphthyl)azo]-6-sulfonato-1-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3Z)-6-amino-4-oxo-3-[[4-[(4-phenyldiazenyl-7-sulfonato-1-naphthalenyl)azo]-6-sulfonato-1-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-6-amino-4-oxo-3-[[4-[(4-phenyldiazenyl-7-sulfonatonaphthalen-1-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3Z)-6-amino-4-keto-3-[[4-[(4-phenylazo-7-sulfonato-1-naphthyl)azo]-6-sulfonato-1-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C36H22N7Na3O10S3 MolecularWeight: 877.76509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)NN=C6C(=CC7=C(C6=O)C=C(C=C7)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N/N=C/6\C(=CC7=C(C6=O)C=C(C=C7)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-31-13-15-33(29-19-24(55(48,49)50)9-11-26(29)31)41-40-32-14-12-30(39-38-22-4-2-1-3-5-22)25-10-8-23(18-28(25)32)54(45,46)47;;;/h1-19,42H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b39-38?,41-40?,43-35+;;;