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2-[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]butanoic acid

2-[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]butanoic acid

Systemtic Name:2-[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]butanoic acid
Openeye Name:2-(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-2-yl)butanoic acid
CAS Name:2-(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)butanoic acid
IUPAC Name:2-(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)butanoic acid
Traditional Name:2-(1,1-diketo-6-nitro-2,3-dihydrobenzothiophen-2-yl)butyric acid
Formula: C12H13NO6S
MolecularWeight: 299.29972
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CC2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])C(=O)O


Isomeric SMILES

CCC(C1CC2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C12H13NO6S/c1-2-9(12(14)15)11-5-7-3-4-8(13(16)17)6-10(7)20(11,18)19/h3-4,6,9,11H,2,5H2,1H3,(H,14,15)


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