2-butyl-5-methoxy-3-phenyl-naphthalene-1,4-dione

Systemtic Name: 2-butyl-5-methoxy-3-phenyl-naphthalene-1,4-dione Openeye Name: 2-butyl-5-methoxy-3-phenyl-naphthalene-1,4-dione CAS Name: 2-butyl-5-methoxy-3-phenylnaphthalene-1,4-dione IUPAC Name: 2-butyl-5-methoxy-3-phenylnaphthalene-1,4-dione Traditional Name: 2-butyl-5-methoxy-3-phenyl-1,4-naphthoquinone Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=O)C2=C(C1=O)C=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20O3/c1-3-4-11-15-18(14-9-6-5-7-10-14)21(23)19-16(20(15)22)12-8-13-17(19)24-2/h5-10,12-13H,3-4,11H2,1-2H3