2-butylsulfanyl-3-methyl-naphthalene-1,4-dione

Systemtic Name: 2-butylsulfanyl-3-methyl-naphthalene-1,4-dione Openeye Name: 2-butylsulfanyl-3-methyl-naphthalene-1,4-dione CAS Name: 2-(butylthio)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-butylsulfanyl-3-methylnaphthalene-1,4-dione Traditional Name: 2-(butylthio)-3-methyl-1,4-naphthoquinone Formula: C15H16O2S MolecularWeight: 260.35134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)C

Isomeric SMILES

CCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)C

InChI

InChI=1S/C15H16O2S/c1-3-4-9-18-15-10(2)13(16)11-7-5-6-8-12(11)14(15)17/h5-8H,3-4,9H2,1-2H3