(3-sulfophenyl)methyl-[4-[(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium hydroxide

Systemtic Name: (3-sulfophenyl)methyl-[4-[(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium hydroxide Openeye Name: (3-sulfophenyl)methyl-[4-[(2-sulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]ammonium hydroxide CAS Name: (3-sulfophenyl)methyl-[4-[(2-sulfophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]ammonium hydroxide IUPAC Name: (3-sulfophenyl)methyl-[4-[(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium hydroxide Traditional Name: (3-sulfobenzyl)-[4-(2-sulfobenzylidene)cyclohexa-2,5-dien-1-ylidene]ammonium hydroxide Formula: C20H19NO7S2 MolecularWeight: 449.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C=CC(=[NH+]CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)S(=O)(=O)O.[OH-]

Isomeric SMILES

C1=CC=C(C(=C1)C=C2C=CC(=[NH+]CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)S(=O)(=O)O.[OH-]

InChI

InChI=1S/C20H17NO6S2.H2O/c22-28(23,24)19-6-3-4-16(13-19)14-21-18-10-8-15(9-11-18)12-17-5-1-2-7-20(17)29(25,26)27;/h1-13H,14H2,(H,22,23,24)(H,25,26,27);1H2