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

Systemtic Name: but-2-ynoxybenzene; 2-oxidanylideneethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate Openeye Name: but-2-ynoxybenzene; 2-oxoethyl 3-tert-butoxy-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate CAS Name: but-2-ynoxybenzene; 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid 2-oxoethyl ester IUPAC Name: but-2-ynoxybenzene; 2-oxoethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-4-sulfonylthiomorpholin-4-ium-3-carboxylate Traditional Name: 3-tert-butoxy-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid 2-ketoethyl ester; 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)CCS1)(C(=O)OCC=O)OC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22NO6S2.C10H10O/c1-11(2,3)20-13(10(16)19-8-7-15)12(4,5)21-9-6-14(13)22(17)18;1-2-3-9-11-10-7-5-4-6-8-10/h7H,6,8-9H2,1-5H3;4-8H,9H2,1H3/q+1;