tert-butyl 4-sulfonylthiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene

Systemtic Name: tert-butyl 4-sulfonylthiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene Openeye Name: tert-butyl 4-sulfonylthiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene CAS Name: but-2-ynoxybenzene; 4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-sulfonylthiomorpholin-4-ium-3-carboxylate; but-2-ynoxybenzene Traditional Name: but-2-ynoxybenzene; 4-sulfonylthiomorpholin-4-ium-3-carboxylic acid tert-butyl ester Formula: C19H26NO5S2+ MolecularWeight: 412.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(C)(C)OC(=O)C1CSCC[N+]1=S(=O)=O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(C)(C)OC(=O)C1CSCC[N+]1=S(=O)=O

InChI

InChI=1S/C10H10O.C9H16NO4S2/c1-2-3-9-11-10-7-5-4-6-8-10;1-9(2,3)14-8(11)7-6-15-5-4-10(7)16(12)13/h4-8H,9H2,1H3;7H,4-6H2,1-3H3/q;+1