3-(4-tert-butylpyridin-1-ium-1-yl)-5,6-bis(chloranyl)-4-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-(4-tert-butylpyridin-1-ium-1-yl)-5,6-bis(chloranyl)-4-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-(4-tert-butylpyridin-1-ium-1-yl)-5,6-dichloro-4-hydroxy-1,2-benzoquinone CAS Name: 3-(4-tert-butyl-1-pyridin-1-iumyl)-5,6-dichloro-4-hydroxycyclohexa-3,5-diene-1,2-dione IUPAC Name: 3-(4-tert-butylpyridin-1-ium-1-yl)-5,6-dichloro-4-hydroxycyclohexa-3,5-diene-1,2-dione Traditional Name: 3-(4-tert-butylpyridin-1-ium-1-yl)-5,6-dichloro-4-hydroxy-o-benzoquinone Formula: C15H14Cl2NO3+ MolecularWeight: 327.18256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=C(C(=C(C(=O)C2=O)Cl)Cl)O

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C2=C(C(=C(C(=O)C2=O)Cl)Cl)O

InChI

InChI=1S/C15H13Cl2NO3/c1-15(2,3)8-4-6-18(7-5-8)11-12(19)9(16)10(17)13(20)14(11)21/h4-7H,1-3H3/p+1