trisodium (6E)-3-azanyl-6-[[4-[(4-ethynoxyphenyl)diazenyl]-7-sulfonato-naphthalen-1-yl]hydrazinylidene]-5-oxidanylidene-7-sulfinatooxy-naphthalene-2-sulfonate

Systemtic Name: trisodium (6E)-3-azanyl-6-[[4-[(4-ethynoxyphenyl)diazenyl]-7-sulfonato-naphthalen-1-yl]hydrazinylidene]-5-oxidanylidene-7-sulfinatooxy-naphthalene-2-sulfonate Openeye Name: trisodium (6E)-3-amino-6-[[4-(4-ethynoxyphenyl)azo-7-sulfonato-1-naphthyl]hydrazono]-5-oxo-7-sulfinatooxy-naphthalene-2-sulfonate CAS Name: trisodium (6E)-3-amino-6-[[4-(4-ethynoxyphenyl)azo-7-sulfonato-1-naphthalenyl]hydrazinylidene]-5-oxo-7-sulfinatooxy-2-naphthalenesulfonate IUPAC Name: trisodium (6E)-3-amino-6-[[4-[(4-ethynoxyphenyl)diazenyl]-7-sulfonatonaphthalen-1-yl]hydrazinylidene]-5-oxo-7-sulfinatooxynaphthalene-2-sulfonate Traditional Name: trisodium (6E)-3-amino-6-[[4-(4-ethynoxyphenyl)azo-7-sulfonato-1-naphthyl]hydrazono]-5-keto-7-sulfito-naphthalene-2-sulfonate Formula: C28H16N5Na3O11S3 MolecularWeight: 763.61785

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Descriptors Computed from Structure

Canonical SMILES:

C#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-])OS(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C#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-])OS(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H19N5O11S3.3Na/c1-2-43-17-5-3-16(4-6-17)30-31-23-9-10-24(21-13-18(46(37,38)39)7-8-19(21)23)32-33-27-25(44-45(35)36)11-15-12-26(47(40,41)42)22(29)14-20(15)28(27)34;;;/h1,3-14,32H,29H2,(H,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b31-30?,33-27+;;;