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

Systemtic Name: 2-methyl-3-(2-sulfanylethyl)naphthalene-1,4-dione Openeye Name: 2-methyl-3-(2-sulfanylethyl)naphthalene-1,4-dione CAS Name: 2-(2-mercaptoethyl)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-methyl-3-(2-sulfanylethyl)naphthalene-1,4-dione Traditional Name: 2-(2-mercaptoethyl)-3-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)CCS

Isomeric SMILES

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

InChI

InChI=1S/C13H12O2S/c1-8-9(6-7-16)13(15)11-5-3-2-4-10(11)12(8)14/h2-5,16H,6-7H2,1H3