6-bromanyl-4-oxidanyl-3-(3-phenylpropyl)naphthalene-1,2-dione

Systemtic Name: 6-bromanyl-4-oxidanyl-3-(3-phenylpropyl)naphthalene-1,2-dione Openeye Name: 6-bromo-4-hydroxy-3-(3-phenylpropyl)naphthalene-1,2-dione CAS Name: 6-bromo-4-hydroxy-3-(3-phenylpropyl)naphthalene-1,2-dione IUPAC Name: 6-bromo-4-hydroxy-3-(3-phenylpropyl)naphthalene-1,2-dione Traditional Name: 6-bromo-4-hydroxy-3-(3-phenylpropyl)-1,2-naphthoquinone Formula: C19H15BrO3 MolecularWeight: 371.2246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(C3=C(C=CC(=C3)Br)C(=O)C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(C3=C(C=CC(=C3)Br)C(=O)C2=O)O

InChI

InChI=1S/C19H15BrO3/c20-13-9-10-14-16(11-13)17(21)15(19(23)18(14)22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,21H,4,7-8H2