3-[4-(4-methylphenyl)butyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[4-(4-methylphenyl)butyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[4-(p-tolyl)butyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[4-(4-methylphenyl)butyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[4-(4-methylphenyl)butyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[4-(p-tolyl)butyl]-1,2-naphthoquinone Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C21H20O3/c1-14-10-12-15(13-11-14)6-2-3-9-18-19(22)16-7-4-5-8-17(16)20(23)21(18)24/h4-5,7-8,10-13,22H,2-3,6,9H2,1H3