4-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]butanoic acid

Systemtic Name: 4-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]butanoic acid Openeye Name: 4-(1,1-dioxo-2,3-dihydrobenzothiophen-2-yl)butanoic acid CAS Name: 4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)butanoic acid IUPAC Name: 4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)butanoic acid Traditional Name: 4-(1,1-diketo-2,3-dihydrobenzothiophen-2-yl)butyric acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1C(S(=O)(=O)C2=CC=CC=C21)CCCC(=O)O

Isomeric SMILES

C1C(S(=O)(=O)C2=CC=CC=C21)CCCC(=O)O

InChI

InChI=1S/C12H14O4S/c13-12(14)7-3-5-10-8-9-4-1-2-6-11(9)17(10,15)16/h1-2,4,6,10H,3,5,7-8H2,(H,13,14)