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3-methanoyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid

3-methanoyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid

Systemtic Name:3-methanoyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid
Openeye Name:3-formyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid
CAS Name:3-formyl-1-sulfonyl-2-azepan-1-iumcarboxylic acid
IUPAC Name:3-formyl-1-sulfonylazepan-1-ium-2-carboxylic acid
Traditional Name:3-formyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid
Formula: C8H12NO5S+
MolecularWeight: 234.24958
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=S(=O)=O)C(C(C1)C=O)C(=O)O


Isomeric SMILES

C1CC[N+](=S(=O)=O)C(C(C1)C=O)C(=O)O


InChI

InChI=1S/C8H11NO5S/c10-5-6-3-1-2-4-9(15(13)14)7(6)8(11)12/h5-7H,1-4H2/p+1


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