sodium; (4Z)-2-bromanyl-4-[(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-phenyl-methylidene]-6-methyl-cyclohexa-2,5-dien-1-one; methanesulfonate

Systemtic Name: sodium; (4Z)-2-bromanyl-4-[(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-phenyl-methylidene]-6-methyl-cyclohexa-2,5-dien-1-one; methanesulfonate Openeye Name: sodium; (4Z)-2-bromo-4-[(3-bromo-4-hydroxy-5-methyl-phenyl)-phenyl-methylene]-6-methyl-cyclohexa-2,5-dien-1-one; methanesulfonate CAS Name: sodium; (4Z)-2-bromo-4-[(3-bromo-4-hydroxy-5-methylphenyl)-phenylmethylidene]-6-methyl-1-cyclohexa-2,5-dienone; methanesulfonate IUPAC Name: sodium; (4Z)-2-bromo-4-[(3-bromo-4-hydroxy-5-methylphenyl)-phenylmethylidene]-6-methylcyclohexa-2,5-dien-1-one; methanesulfonate Traditional Name: sodium (4Z)-2-bromo-4-[(3-bromo-4-hydroxy-5-methyl-phenyl)-phenyl-methylene]-6-methyl-cyclohexa-2,5-dien-1-one mesylate Formula: C22H19Br2NaO5S MolecularWeight: 578.24603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)C)C=C(C1=O)Br.CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C/C(=C(\C2=CC=CC=C2)/C3=CC(=C(C(=C3)Br)O)C)/C=C(C1=O)Br.CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H16Br2O2.CH4O3S.Na/c1-12-8-15(10-17(22)20(12)24)19(14-6-4-3-5-7-14)16-9-13(2)21(25)18(23)11-16;1-5(2,3)4;/h3-11,24H,1-2H3;1H3,(H,2,3,4);/q;;+1/p-1/b19-16-;;