[5-bromanyl-3,5-bis(chloranyl)-6-pyridin-2-yl-cyclohexa-1,3-dien-1-yl]methanesulfonate

Systemtic Name: [5-bromanyl-3,5-bis(chloranyl)-6-pyridin-2-yl-cyclohexa-1,3-dien-1-yl]methanesulfonate Openeye Name: [5-bromo-3,5-dichloro-6-(2-pyridyl)cyclohexa-1,3-dien-1-yl]methanesulfonate CAS Name: [5-bromo-3,5-dichloro-6-(2-pyridinyl)-1-cyclohexa-1,3-dienyl]methanesulfonate IUPAC Name: (5-bromo-3,5-dichloro-6-pyridin-2-ylcyclohexa-1,3-dien-1-yl)methanesulfonate Traditional Name: [5-bromo-3,5-dichloro-6-(2-pyridyl)cyclohexa-1,3-dien-1-yl]methanesulfonate Formula: C12H9BrCl2NO3S- MolecularWeight: 398.07976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2C(=CC(=CC2(Cl)Br)Cl)CS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C2C(=CC(=CC2(Cl)Br)Cl)CS(=O)(=O)[O-]

InChI

InChI=1S/C12H10BrCl2NO3S/c13-12(15)6-9(14)5-8(7-20(17,18)19)11(12)10-3-1-2-4-16-10/h1-6,11H,7H2,(H,17,18,19)/p-1