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

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

Systemtic Name:3-methanoyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid; methoxybenzene
Openeye Name:anisole; 3-formyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid
CAS Name:3-formyl-1-sulfonyl-2-azepan-1-iumcarboxylic acid; methoxybenzene
IUPAC Name:anisole; 3-formyl-1-sulfonylazepan-1-ium-2-carboxylic acid
Traditional Name:anisole; 3-formyl-1-sulfonyl-azepan-1-ium-2-carboxylic acid
Formula: C15H20NO6S+
MolecularWeight: 342.3874
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1CC[N+](=S(=O)=O)C(C(C1)C=O)C(=O)O


Isomeric SMILES

COC1=CC=CC=C1.C1CC[N+](=S(=O)=O)C(C(C1)C=O)C(=O)O


InChI

InChI=1S/C8H11NO5S.C7H8O/c10-5-6-3-1-2-4-9(15(13)14)7(6)8(11)12;1-8-7-5-3-2-4-6-7/h5-7H,1-4H2;2-6H,1H3/p+1


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