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

Systemtic Name: 3-(3-tert-butyl-5-chloranyl-4-oxidanyl-phenyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-(3-tert-butyl-5-chloro-4-hydroxy-phenyl)-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-(3-tert-butyl-5-chloro-4-hydroxyphenyl)-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-(3-tert-butyl-5-chloro-4-hydroxyphenyl)-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-(3-tert-butyl-5-chloro-4-hydroxy-phenyl)-4-hydroxy-1,2-naphthoquinone Formula: C20H17ClO4 MolecularWeight: 356.79958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O)Cl)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O)Cl)O

InChI

InChI=1S/C20H17ClO4/c1-20(2,3)13-8-10(9-14(21)18(13)24)15-16(22)11-6-4-5-7-12(11)17(23)19(15)25/h4-9,22,24H,1-3H3