2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; prop-2-ynoxybenzene

Systemtic Name: 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; prop-2-ynoxybenzene Openeye Name: 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; prop-2-ynoxybenzene CAS Name: 2,2-dimethyl-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid; prop-2-ynoxybenzene IUPAC Name: 2,2-dimethyl-4-sulfonylthiomorpholin-4-ium-3-carboxylic acid; prop-2-ynoxybenzene Traditional Name: 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; propargyloxybenzene Formula: C16H20NO5S2+ MolecularWeight: 370.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](=S(=O)=O)CCS1)C(=O)O)C.C#CCOC1=CC=CC=C1

Isomeric SMILES

CC1(C([N+](=S(=O)=O)CCS1)C(=O)O)C.C#CCOC1=CC=CC=C1

InChI

InChI=1S/C9H8O.C7H11NO4S2/c1-2-8-10-9-6-4-3-5-7-9;1-7(2)5(6(9)10)8(14(11)12)3-4-13-7/h1,3-7H,8H2;5H,3-4H2,1-2H3/p+1