2-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)sulfanylethanoic acid

Systemtic Name: 2-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)sulfanylethanoic acid Openeye Name: 2-(7-oxocyclohepta-1,3,5-trien-1-yl)sulfanylacetic acid CAS Name: 2-[(7-oxo-1-cyclohepta-1,3,5-trienyl)thio]acetic acid IUPAC Name: 2-(7-oxocyclohepta-1,3,5-trien-1-yl)sulfanylacetic acid Traditional Name: 2-[(7-ketocyclohepta-1,3,5-trien-1-yl)thio]acetic acid Formula: C9H8O3S MolecularWeight: 196.22302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O3S/c10-7-4-2-1-3-5-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)