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2-(hydroxymethyl)-1-sulfonyl-azepan-1-ium-2-carboxylic acid; methoxybenzene

2-(hydroxymethyl)-1-sulfonyl-azepan-1-ium-2-carboxylic acid; methoxybenzene

Systemtic Name:2-(hydroxymethyl)-1-sulfonyl-azepan-1-ium-2-carboxylic acid; methoxybenzene
Openeye Name:anisole; 2-(hydroxymethyl)-1-sulfonyl-azepan-1-ium-2-carboxylic acid
CAS Name:2-(hydroxymethyl)-1-sulfonyl-2-azepan-1-iumcarboxylic acid; methoxybenzene
IUPAC Name:anisole; 2-(hydroxymethyl)-1-sulfonylazepan-1-ium-2-carboxylic acid
Traditional Name:anisole; 2-methylol-1-sulfonyl-azepan-1-ium-2-carboxylic acid
Formula: C15H22NO6S+
MolecularWeight: 344.40328
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1CCC([N+](=S(=O)=O)CC1)(CO)C(=O)O


Isomeric SMILES

COC1=CC=CC=C1.C1CCC([N+](=S(=O)=O)CC1)(CO)C(=O)O


InChI

InChI=1S/C8H13NO5S.C7H8O/c10-6-8(7(11)12)4-2-1-3-5-9(8)15(13)14;1-8-7-5-3-2-4-6-7/h10H,1-6H2;2-6H,1H3/p+1


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