2-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-3-chloro-naphthalene-1,4-dione CAS Name: 2-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-3-chloronaphthalene-1,4-dione IUPAC Name: 2-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-3-chloronaphthalene-1,4-dione Traditional Name: 2-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-3-chloro-1,4-naphthoquinone Formula: C20H16BrClO3 MolecularWeight: 419.69624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)Br)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)Br)O

InChI

InChI=1S/C20H16BrClO3/c1-20(2,3)13-8-10(9-14(21)19(13)25)15-16(22)18(24)12-7-5-4-6-11(12)17(15)23/h4-9,25H,1-3H3