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

Systemtic Name: 2-(3-tert-butyl-4-oxidanyl-phenyl)-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-(3-tert-butyl-4-hydroxy-phenyl)-3-chloro-naphthalene-1,4-dione CAS Name: 2-(3-tert-butyl-4-hydroxyphenyl)-3-chloronaphthalene-1,4-dione IUPAC Name: 2-(3-tert-butyl-4-hydroxyphenyl)-3-chloronaphthalene-1,4-dione Traditional Name: 2-(3-tert-butyl-4-hydroxy-phenyl)-3-chloro-1,4-naphthoquinone Formula: C20H17ClO3 MolecularWeight: 340.80018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClO3/c1-20(2,3)14-10-11(8-9-15(14)22)16-17(21)19(24)13-7-5-4-6-12(13)18(16)23/h4-10,22H,1-3H3