2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]sulfanylacetic acid CAS Name: 2-[[mercapto-(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]thio]acetic acid IUPAC Name: 2-[(4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]sulfanylacetic acid Traditional Name: 2-[[(4-ketocyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]thio]acetic acid Formula: C9H8O3S2 MolecularWeight: 228.28802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C(S)SCC(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C(S)SCC(=O)O

InChI

InChI=1S/C9H8O3S2/c10-7-3-1-6(2-4-7)9(13)14-5-8(11)12/h1-4,13H,5H2,(H,11,12)