4-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]iminocyclohexa-2,5-dien-1-one; 1-oxidanylnaphthalene-2-sulfonic acid; sodium

Systemtic Name: 4-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]iminocyclohexa-2,5-dien-1-one; 1-oxidanylnaphthalene-2-sulfonic acid; sodium Openeye Name: 4-(3,5-dibromo-4-hydroxy-phenyl)iminocyclohexa-2,5-dien-1-one; 1-hydroxynaphthalene-2-sulfonic acid; sodium CAS Name: 4-(3,5-dibromo-4-hydroxyphenyl)imino-1-cyclohexa-2,5-dienone; 1-hydroxy-2-naphthalenesulfonic acid; sodium IUPAC Name: 4-(3,5-dibromo-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one; 1-hydroxynaphthalene-2-sulfonic acid; sodium Traditional Name: 4-(3,5-dibromo-4-hydroxy-phenyl)iminocyclohexa-2,5-dien-1-one; 1-hydroxynaphthalene-2-sulfonic acid; sodium Formula: C22H15Br2NNaO6S MolecularWeight: 604.22037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2O)S(=O)(=O)O.C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Br)O)Br.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2O)S(=O)(=O)O.C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Br)O)Br.[Na]

InChI

InChI=1S/C12H7Br2NO2.C10H8O4S.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14;/h1-6,17H;1-6,11H,(H,12,13,14);