3-(butoxymethyl)-2-methyl-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 3-(butoxymethyl)-2-methyl-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 3-(butoxymethyl)-5-hydroxy-2-methyl-naphthalene-1,4-dione CAS Name: 3-(butoxymethyl)-5-hydroxy-2-methylnaphthalene-1,4-dione IUPAC Name: 3-(butoxymethyl)-5-hydroxy-2-methylnaphthalene-1,4-dione Traditional Name: 3-(butoxymethyl)-5-hydroxy-2-methyl-1,4-naphthoquinone Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

Isomeric SMILES

CCCCOCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

InChI

InChI=1S/C16H18O4/c1-3-4-8-20-9-12-10(2)15(18)11-6-5-7-13(17)14(11)16(12)19/h5-7,17H,3-4,8-9H2,1-2H3