3-(3-methylbutyl)-6-(4-methylpentyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(3-methylbutyl)-6-(4-methylpentyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-6-isohexyl-3-isopentyl-naphthalene-1,2-dione CAS Name: 4-hydroxy-3-(3-methylbutyl)-6-(4-methylpentyl)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(3-methylbutyl)-6-(4-methylpentyl)naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-isoamyl-6-isohexyl-1,2-naphthoquinone Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC2=C(C=C1)C(=O)C(=O)C(=C2O)CCC(C)C

Isomeric SMILES

CC(C)CCCC1=CC2=C(C=C1)C(=O)C(=O)C(=C2O)CCC(C)C

InChI

InChI=1S/C21H28O3/c1-13(2)6-5-7-15-9-11-16-18(12-15)19(22)17(10-8-14(3)4)21(24)20(16)23/h9,11-14,22H,5-8,10H2,1-4H3