2-methyl-3-(methylsulfanylmethyl)naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-(methylsulfanylmethyl)naphthalene-1,4-dione Openeye Name: 2-methyl-3-(methylsulfanylmethyl)naphthalene-1,4-dione CAS Name: 2-methyl-3-[(methylthio)methyl]naphthalene-1,4-dione IUPAC Name: 2-methyl-3-(methylsulfanylmethyl)naphthalene-1,4-dione Traditional Name: 2-methyl-3-[(methylthio)methyl]-1,4-naphthoquinone Formula: C13H12O2S MolecularWeight: 232.29818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O2S/c1-8-11(7-16-2)13(15)10-6-4-3-5-9(10)12(8)14/h3-6H,7H2,1-2H3