tert-butyl 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene

Systemtic Name: tert-butyl 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene Openeye Name: tert-butyl 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene CAS Name: but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,2-dimethyl-4-sulfonylthiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene Traditional Name: but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid tert-butyl ester Formula: C21H30NO5S2+ MolecularWeight: 440.5966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20NO4S2.C10H10O/c1-10(2,3)16-9(13)8-11(4,5)17-7-6-12(8)18(14)15;1-2-3-9-11-10-7-5-4-6-8-10/h8H,6-7H2,1-5H3;4-8H,9H2,1H3/q+1;