(6E)-3-azanyl-6-[[4-[(4-ethynoxyphenyl)diazenyl]-7-sulfo-naphthalen-1-yl]hydrazinylidene]-5-oxidanylidene-7-sulfinooxy-naphthalene-2-sulfonic acid

Systemtic Name: (6E)-3-azanyl-6-[[4-[(4-ethynoxyphenyl)diazenyl]-7-sulfo-naphthalen-1-yl]hydrazinylidene]-5-oxidanylidene-7-sulfinooxy-naphthalene-2-sulfonic acid Openeye Name: (6E)-3-amino-6-[[4-(4-ethynoxyphenyl)azo-7-sulfo-1-naphthyl]hydrazono]-5-oxo-7-sulfinooxy-naphthalene-2-sulfonic acid CAS Name: (6E)-3-amino-6-[[4-(4-ethynoxyphenyl)azo-7-sulfo-1-naphthalenyl]hydrazinylidene]-5-oxo-7-sulfinooxy-2-naphthalenesulfonic acid IUPAC Name: (6E)-3-amino-6-[[4-[(4-ethynoxyphenyl)diazenyl]-7-sulfonaphthalen-1-yl]hydrazinylidene]-5-oxo-7-sulfinooxynaphthalene-2-sulfonic acid Traditional Name: (6E)-3-amino-6-[[4-(4-ethynoxyphenyl)azo-7-sulfo-1-naphthyl]hydrazono]-5-keto-7-sulfinooxy-naphthalene-2-sulfonic acid Formula: C28H19N5O11S3 MolecularWeight: 697.67236

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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

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

InChI

InChI=1S/C28H19N5O11S3/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)/b31-30?,33-27+