3-hexyl-2-methyl-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 3-hexyl-2-methyl-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 3-hexyl-5-hydroxy-2-methyl-naphthalene-1,4-dione CAS Name: 3-hexyl-5-hydroxy-2-methylnaphthalene-1,4-dione IUPAC Name: 3-hexyl-5-hydroxy-2-methylnaphthalene-1,4-dione Traditional Name: 3-hexyl-5-hydroxy-2-methyl-1,4-naphthoquinone Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

Isomeric SMILES

CCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

InChI

InChI=1S/C17H20O3/c1-3-4-5-6-8-12-11(2)16(19)13-9-7-10-14(18)15(13)17(12)20/h7,9-10,18H,3-6,8H2,1-2H3