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

Systemtic Name: (6E)-3-azanyl-6-[[4-[(4-methoxyphenyl)diazenyl]-7-sulfo-naphthalen-1-yl]hydrazinylidene]-5-oxidanylidene-7-sulfinooxy-naphthalene-2-sulfonic acid Openeye Name: (6E)-3-amino-6-[[4-(4-methoxyphenyl)azo-7-sulfo-1-naphthyl]hydrazono]-5-oxo-7-sulfinooxy-naphthalene-2-sulfonic acid CAS Name: (6E)-3-amino-6-[[4-(4-methoxyphenyl)azo-7-sulfo-1-naphthalenyl]hydrazinylidene]-5-oxo-7-sulfinooxy-2-naphthalenesulfonic acid IUPAC Name: (6E)-3-amino-6-[[4-[(4-methoxyphenyl)diazenyl]-7-sulfonaphthalen-1-yl]hydrazinylidene]-5-oxo-7-sulfinooxynaphthalene-2-sulfonic acid Traditional Name: (6E)-3-amino-5-keto-6-[[4-(4-methoxyphenyl)azo-7-sulfo-1-naphthyl]hydrazono]-7-sulfinooxy-naphthalene-2-sulfonic acid Formula: C27H21N5O11S3 MolecularWeight: 687.67754

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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)OS(=O)O)S(=O)(=O)O

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)OS(=O)O)S(=O)(=O)O

InChI

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