2-[1,4-bis(oxidanylidene)-3-sulfanyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3-sulfanyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-(1,4-dioxo-3-sulfanyl-2-naphthyl)acetic acid CAS Name: 2-(3-mercapto-1,4-dioxo-2-naphthalenyl)acetic acid IUPAC Name: 2-(1,4-dioxo-3-sulfanylnaphthalen-2-yl)acetic acid Traditional Name: 2-(1,4-diketo-3-mercapto-2-naphthyl)acetic acid Formula: C12H8O4S MolecularWeight: 248.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)S)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)S)CC(=O)O

InChI

InChI=1S/C12H8O4S/c13-9(14)5-8-10(15)6-3-1-2-4-7(6)11(16)12(8)17/h1-4,17H,5H2,(H,13,14)