7-(4-methylpentyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 7-(4-methylpentyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-7-isohexyl-naphthalene-1,2-dione CAS Name: 4-hydroxy-7-(4-methylpentyl)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-7-(4-methylpentyl)naphthalene-1,2-dione Traditional Name: 4-hydroxy-7-isohexyl-1,2-naphthoquinone Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC2=C(C=C1)C(=CC(=O)C2=O)O

Isomeric SMILES

CC(C)CCCC1=CC2=C(C=C1)C(=CC(=O)C2=O)O

InChI

InChI=1S/C16H18O3/c1-10(2)4-3-5-11-6-7-12-13(8-11)16(19)15(18)9-14(12)17/h6-10,17H,3-5H2,1-2H3