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

Systemtic Name: 2-methyl-3-octylsulfanyl-naphthalene-1,4-dione Openeye Name: 2-methyl-3-octylsulfanyl-naphthalene-1,4-dione CAS Name: 2-methyl-3-(octylthio)naphthalene-1,4-dione IUPAC Name: 2-methyl-3-octylsulfanylnaphthalene-1,4-dione Traditional Name: 2-methyl-3-(octylthio)-1,4-naphthoquinone Formula: C19H24O2S MolecularWeight: 316.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)C

Isomeric SMILES

CCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)C

InChI

InChI=1S/C19H24O2S/c1-3-4-5-6-7-10-13-22-19-14(2)17(20)15-11-8-9-12-16(15)18(19)21/h8-9,11-12H,3-7,10,13H2,1-2H3