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

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

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

Canonical SMILES:

C1C(C2=CC=CC=C2S1(=O)=O)CCCC(=O)O


Isomeric SMILES

C1C(C2=CC=CC=C2S1(=O)=O)CCCC(=O)O


InChI

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


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