but-2-ynoxybenzene; 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-oxidanylideneethyl)-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid

Systemtic Name: but-2-ynoxybenzene; 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-oxidanylideneethyl)-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid Openeye Name: 5-tert-butoxy-2,2-dimethyl-3-(2-oxoethyl)-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; but-2-ynoxybenzene CAS Name: but-2-ynoxybenzene; 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-oxoethyl)-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid IUPAC Name: but-2-ynoxybenzene; 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-oxoethyl)-4-sulfonylthiomorpholin-4-ium-3-carboxylic acid Traditional Name: 5-tert-butoxy-3-(2-ketoethyl)-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; but-2-ynoxybenzene Formula: C23H32NO7S2+ MolecularWeight: 498.63268

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)C(CS1)OC(C)(C)C)(CC=O)C(=O)O)C

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)C(CS1)OC(C)(C)C)(CC=O)C(=O)O)C

InChI

InChI=1S/C13H21NO6S2.C10H10O/c1-11(2,3)20-9-8-21-12(4,5)13(6-7-15,10(16)17)14(9)22(18)19;1-2-3-9-11-10-7-5-4-6-8-10/h7,9H,6,8H2,1-5H3;4-8H,9H2,1H3/p+1