7-bromanyl-4-oxidanyl-3-phenethyl-naphthalene-1,2-dione

Systemtic Name: 7-bromanyl-4-oxidanyl-3-phenethyl-naphthalene-1,2-dione Openeye Name: 7-bromo-4-hydroxy-3-phenethyl-naphthalene-1,2-dione CAS Name: 7-bromo-4-hydroxy-3-phenethylnaphthalene-1,2-dione IUPAC Name: 7-bromo-4-hydroxy-3-phenethylnaphthalene-1,2-dione Traditional Name: 7-bromo-4-hydroxy-3-phenethyl-1,2-naphthoquinone Formula: C18H13BrO3 MolecularWeight: 357.19802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C3=C(C=C(C=C3)Br)C(=O)C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C3=C(C=C(C=C3)Br)C(=O)C2=O)O

InChI

InChI=1S/C18H13BrO3/c19-12-7-9-13-15(10-12)18(22)17(21)14(16(13)20)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,20H,6,8H2