4-(4-chloranylsulfanylphenoxy)-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 4-(4-chloranylsulfanylphenoxy)-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 4-(4-chlorosulfanylphenoxy)-3-thioxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 4-[4-(chlorothio)phenoxy]-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 4-(4-chlorosulfanylphenoxy)-3-sulfanylidenecyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 4-[4-(chlorothio)phenoxy]-3-thioxo-cyclohexa-1,5-diene-1-carboxylic acid Formula: C13H9ClO3S2 MolecularWeight: 312.79176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=S)C1OC2=CC=C(C=C2)SCl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=S)C1OC2=CC=C(C=C2)SCl)C(=O)O

InChI

InChI=1S/C13H9ClO3S2/c14-19-10-4-2-9(3-5-10)17-11-6-1-8(13(15)16)7-12(11)18/h1-7,11H,(H,15,16)