4-(2-methanethioylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-methanethioylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methanethioylphenyl)-4-oxo-butanoic acid CAS Name: 4-(2-methanethioylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-methanethioylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-thioformylphenyl)butyric acid Formula: C11H10O3S MolecularWeight: 222.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O3S/c12-10(5-6-11(13)14)9-4-2-1-3-8(9)7-15/h1-4,7H,5-6H2,(H,13,14)