4-oxidanylidene-3-(5-oxidanylidenecyclopent-2-en-1-yl)butanethioic S-acid

Systemtic Name: 4-oxidanylidene-3-(5-oxidanylidenecyclopent-2-en-1-yl)butanethioic S-acid Openeye Name: 4-oxo-3-(5-oxocyclopent-2-en-1-yl)butanethioic S-acid CAS Name: 4-oxo-3-(5-oxo-1-cyclopent-2-enyl)butanethioic S-acid IUPAC Name: 4-oxo-3-(5-oxocyclopent-2-en-1-yl)butanethioic S-acid Traditional Name: 4-keto-3-(5-ketocyclopent-2-en-1-yl)thiobutyric acid Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C1=O)C(CC(=O)S)C=O

Isomeric SMILES

C1C=CC(C1=O)C(CC(=O)S)C=O

InChI

InChI=1S/C9H10O3S/c10-5-6(4-9(12)13)7-2-1-3-8(7)11/h1-2,5-7H,3-4H2,(H,12,13)