2-butylsulfanylnaphthalene-1,4-dione

Systemtic Name: 2-butylsulfanylnaphthalene-1,4-dione Openeye Name: 2-butylsulfanylnaphthalene-1,4-dione CAS Name: 2-(butylthio)naphthalene-1,4-dione IUPAC Name: 2-butylsulfanylnaphthalene-1,4-dione Traditional Name: 2-(butylthio)-1,4-naphthoquinone Formula: C14H14O2S MolecularWeight: 246.32476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O2S/c1-2-3-8-17-13-9-12(15)10-6-4-5-7-11(10)14(13)16/h4-7,9H,2-3,8H2,1H3