(3E)-7-azanyl-3-[[4-(naphthalen-1-yldiazenyl)-7-sulfo-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-7-azanyl-3-[[4-(naphthalen-1-yldiazenyl)-7-sulfo-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-7-amino-3-[[4-(1-naphthylazo)-7-sulfo-1-naphthyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-7-amino-3-[[4-(1-naphthalenylazo)-7-sulfo-1-naphthalenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-amino-3-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-7-amino-4-keto-3-[[4-(1-naphthylazo)-7-sulfo-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid Formula: C30H21N5O7S2 MolecularWeight: 627.64704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=C(C=C3)NN=C5C(=CC6=C(C5=O)C=CC(=C6)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=C(C=C3)N/N=C\5/C(=CC6=C(C5=O)C=CC(=C6)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H21N5O7S2/c31-19-8-10-22-18(14-19)15-28(44(40,41)42)29(30(22)36)35-34-27-13-12-26(23-11-9-20(16-24(23)27)43(37,38)39)33-32-25-7-3-5-17-4-1-2-6-21(17)25/h1-16,34H,31H2,(H,37,38,39)(H,40,41,42)/b33-32?,35-29-