2-methyl-3-(1-oxidanyl-2-sulfanyl-ethyl)naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-(1-oxidanyl-2-sulfanyl-ethyl)naphthalene-1,4-dione Openeye Name: 2-(1-hydroxy-2-sulfanyl-ethyl)-3-methyl-naphthalene-1,4-dione CAS Name: 2-(1-hydroxy-2-mercaptoethyl)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-(1-hydroxy-2-sulfanylethyl)-3-methylnaphthalene-1,4-dione Traditional Name: 2-(1-hydroxy-2-mercapto-ethyl)-3-methyl-1,4-naphthoquinone Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3S/c1-7-11(10(14)6-17)13(16)9-5-3-2-4-8(9)12(7)15/h2-5,10,14,17H,6H2,1H3