sodium 2-[(E)-(3-bromanyl-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)methyl]benzenesulfonate

Systemtic Name: sodium 2-[(E)-(3-bromanyl-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)methyl]benzenesulfonate Openeye Name: sodium 2-[(E)-(3-bromo-4-hydroxy-5-methyl-phenyl)-(3-bromo-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Traditional Name: sodium 2-[(E)-(3-bromo-4-hydroxy-5-methyl-phenyl)-(3-bromo-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C21H15Br2NaO5S MolecularWeight: 562.20357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3)Br)O)C)C=C(C1=O)Br.[Na+]

Isomeric SMILES

CC1=C/C(=C(\C2=CC=CC=C2S(=O)(=O)[O-])/C3=CC(=C(C(=C3)Br)O)C)/C=C(C1=O)Br.[Na+]

InChI

InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1/b19-14+;