2-methyl-3-(3-oxidanylbutan-2-ylsulfanyl)naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-(3-oxidanylbutan-2-ylsulfanyl)naphthalene-1,4-dione Openeye Name: 2-(2-hydroxy-1-methyl-propyl)sulfanyl-3-methyl-naphthalene-1,4-dione CAS Name: 2-(3-hydroxybutan-2-ylthio)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-(3-hydroxybutan-2-ylsulfanyl)-3-methylnaphthalene-1,4-dione Traditional Name: 2-[(2-hydroxy-1-methyl-propyl)thio]-3-methyl-1,4-naphthoquinone Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SC(C)C(C)O

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SC(C)C(C)O

InChI

InChI=1S/C15H16O3S/c1-8-13(17)11-6-4-5-7-12(11)14(18)15(8)19-10(3)9(2)16/h4-7,9-10,16H,1-3H3