3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoic acid Openeye Name: 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropanoic acid CAS Name: 3-[(3,6-dioxo-1-cyclohexa-1,4-dienyl)thio]propanoic acid IUPAC Name: 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropanoic acid Traditional Name: 3-[(3,6-diketocyclohexa-1,4-dien-1-yl)thio]propionic acid Formula: C9H8O4S MolecularWeight: 212.22242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=O)SCCC(=O)O

Isomeric SMILES

C1=CC(=O)C(=CC1=O)SCCC(=O)O

InChI

InChI=1S/C9H8O4S/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)