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

Systemtic Name: trisodium (3Z)-6-azanyl-3-[[4-[(4-methoxyphenyl)diazenyl]-7-sulfonato-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-6-amino-3-[[4-(4-methoxyphenyl)azo-7-sulfonato-1-naphthyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-6-amino-3-[[4-(4-methoxyphenyl)azo-7-sulfonato-1-naphthalenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-6-amino-3-[[4-[(4-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-6-amino-4-keto-3-[[4-(4-methoxyphenyl)azo-7-sulfonato-1-naphthyl]hydrazono]naphthalene-2,7-disulfonate Formula: C27H18N5Na3O11S3 MolecularWeight: 753.62303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C/4\C(=CC5=CC(=C(C=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H21N5O11S3.3Na/c1-43-16-4-2-15(3-5-16)29-30-22-8-9-23(20-12-17(44(34,35)36)6-7-18(20)22)31-32-26-25(46(40,41)42)11-14-10-24(45(37,38)39)21(28)13-19(14)27(26)33;;;/h2-13,31H,28H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b30-29?,32-26+;;;