2-butyl-3-(2-methoxyphenyl)naphthalene-1,4-dione

Systemtic Name: 2-butyl-3-(2-methoxyphenyl)naphthalene-1,4-dione Openeye Name: 2-butyl-3-(2-methoxyphenyl)naphthalene-1,4-dione CAS Name: 2-butyl-3-(2-methoxyphenyl)naphthalene-1,4-dione IUPAC Name: 2-butyl-3-(2-methoxyphenyl)naphthalene-1,4-dione Traditional Name: 2-butyl-3-(2-methoxyphenyl)-1,4-naphthoquinone Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3OC

Isomeric SMILES

CCCCC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3OC

InChI

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