2-[3-methyl-1,4-bis(oxidanylidene)-8-sulfanyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-1,4-bis(oxidanylidene)-8-sulfanyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-(3-methyl-1,4-dioxo-8-sulfanyl-2-naphthyl)acetic acid CAS Name: 2-(8-mercapto-3-methyl-1,4-dioxo-2-naphthalenyl)acetic acid IUPAC Name: 2-(3-methyl-1,4-dioxo-8-sulfanylnaphthalen-2-yl)acetic acid Traditional Name: 2-(1,4-diketo-8-mercapto-3-methyl-2-naphthyl)acetic acid Formula: C13H10O4S MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C=CC=C2S)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C=CC=C2S)CC(=O)O

InChI

InChI=1S/C13H10O4S/c1-6-8(5-10(14)15)13(17)11-7(12(6)16)3-2-4-9(11)18/h2-4,18H,5H2,1H3,(H,14,15)