3-[3-(3,4-dimethylphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[3-(3,4-dimethylphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[3-(3,4-dimethylphenyl)propyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[3-(3,4-dimethylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[3-(3,4-dimethylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[3-(3,4-dimethylphenyl)propyl]-4-hydroxy-1,2-naphthoquinone Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O)C

InChI

InChI=1S/C21H20O3/c1-13-10-11-15(12-14(13)2)6-5-9-18-19(22)16-7-3-4-8-17(16)20(23)21(18)24/h3-4,7-8,10-12,22H,5-6,9H2,1-2H3