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

Systemtic Name: 2-[(3-bromanyl-2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-2,5-dimethyl-4-oxidanyl-phenyl)methyl]benzenesulfonate Openeye Name: 2-[(3-bromo-2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(3-bromo-4-hydroxy-2,5-dimethyl-phenyl)methyl]benzenesulfonate CAS Name: 2-[(3-bromo-2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(3-bromo-4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonate IUPAC Name: 2-[(3-bromo-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(3-bromo-4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonate Traditional Name: 2-[(3-bromo-4-hydroxy-2,5-dimethyl-phenyl)-(3-bromo-4-keto-2,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C23H19Br2O5S- MolecularWeight: 567.26696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3C)Br)O)C)C(=C(C1=O)Br)C

Isomeric SMILES

CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3C)Br)O)C)C(=C(C1=O)Br)C

InChI

InChI=1S/C23H20Br2O5S/c1-11-9-16(13(3)20(24)22(11)26)19(15-7-5-6-8-18(15)31(28,29)30)17-10-12(2)23(27)21(25)14(17)4/h5-10,26H,1-4H3,(H,28,29,30)/p-1