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

Systemtic Name: 2-(1-hydroxyethylsulfanyl)-3-methyl-naphthalene-1,4-dione Openeye Name: 2-(1-hydroxyethylsulfanyl)-3-methyl-naphthalene-1,4-dione CAS Name: 2-(1-hydroxyethylthio)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-(1-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione Traditional Name: 2-(1-hydroxyethylthio)-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)SC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3S/c1-7-11(15)9-5-3-4-6-10(9)12(16)13(7)17-8(2)14/h3-6,8,14H,1-2H3