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

Systemtic Name: 2-[(E)-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-4-oxidanyl-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-[(E)-(3-bromo-4-hydroxy-phenyl)-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid CAS Name: 2-[(E)-(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-[(E)-(3-bromo-4-hydroxy-phenyl)-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]besylic acid Formula: C19H12Br2O5S MolecularWeight: 512.16858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C(=C/2\C=CC(=O)C(=C2)Br)/C3=CC(=C(C=C3)O)Br)S(=O)(=O)O

InChI

InChI=1S/C19H12Br2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-10,22H,(H,24,25,26)/b19-12+