5,8-dimethoxy-2-sulfanyl-naphthalene-1,4-dione

Systemtic Name: 5,8-dimethoxy-2-sulfanyl-naphthalene-1,4-dione Openeye Name: 5,8-dimethoxy-2-sulfanyl-naphthalene-1,4-dione CAS Name: 2-mercapto-5,8-dimethoxynaphthalene-1,4-dione IUPAC Name: 5,8-dimethoxy-2-sulfanylnaphthalene-1,4-dione Traditional Name: 2-mercapto-5,8-dimethoxy-1,4-naphthoquinone Formula: C12H10O4S MolecularWeight: 250.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)C=C(C(=O)C2=C(C=C1)OC)S

Isomeric SMILES

COC1=C2C(=O)C=C(C(=O)C2=C(C=C1)OC)S

InChI

InChI=1S/C12H10O4S/c1-15-7-3-4-8(16-2)11-10(7)6(13)5-9(17)12(11)14/h3-5,17H,1-2H3