3-butyl-6-methyl-2-phenyl-naphthalene-1,4-dione

Systemtic Name: 3-butyl-6-methyl-2-phenyl-naphthalene-1,4-dione Openeye Name: 3-butyl-6-methyl-2-phenyl-naphthalene-1,4-dione CAS Name: 3-butyl-6-methyl-2-phenylnaphthalene-1,4-dione IUPAC Name: 3-butyl-6-methyl-2-phenylnaphthalene-1,4-dione Traditional Name: 3-butyl-6-methyl-2-phenyl-1,4-naphthoquinone Formula: C21H20O2 MolecularWeight: 304.3823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O2/c1-3-4-10-17-19(15-8-6-5-7-9-15)21(23)16-12-11-14(2)13-18(16)20(17)22/h5-9,11-13H,3-4,10H2,1-2H3