5-(3-oxidanylidene-5-sulfanyl-cyclohexa-1,4-dien-1-yl)oxypentanoic acid

Systemtic Name: 5-(3-oxidanylidene-5-sulfanyl-cyclohexa-1,4-dien-1-yl)oxypentanoic acid Openeye Name: 5-(3-oxo-5-sulfanyl-cyclohexa-1,4-dien-1-yl)oxypentanoic acid CAS Name: 5-[(5-mercapto-3-oxo-1-cyclohexa-1,4-dienyl)oxy]pentanoic acid IUPAC Name: 5-(3-oxo-5-sulfanylcyclohexa-1,4-dien-1-yl)oxypentanoic acid Traditional Name: 5-(3-keto-5-mercapto-cyclohexa-1,4-dien-1-yl)oxyvaleric acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=O)C=C1S)OCCCCC(=O)O

Isomeric SMILES

C1C(=CC(=O)C=C1S)OCCCCC(=O)O

InChI

InChI=1S/C11H14O4S/c12-8-5-9(7-10(16)6-8)15-4-2-1-3-11(13)14/h5-6,16H,1-4,7H2,(H,13,14)