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

Systemtic Name: but-2-ynoxybenzene; 2,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid Openeye Name: 5-(tert-butoxycarbonylamino)-2,2,3-trimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; but-2-ynoxybenzene CAS Name: but-2-ynoxybenzene; 2,2,3-trimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid IUPAC Name: but-2-ynoxybenzene; 2,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfonylthiomorpholin-4-ium-3-carboxylic acid Traditional Name: 5-(tert-butoxycarbonylamino)-2,2,3-trimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid; but-2-ynoxybenzene Formula: C23H33N2O7S2+ MolecularWeight: 513.64732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O6S2.C10H10O/c1-11(2,3)21-10(18)14-8-7-22-12(4,5)13(6,9(16)17)15(8)23(19)20;1-2-3-9-11-10-7-5-4-6-8-10/h8H,7H2,1-6H3,(H-,14,16,17,18);4-8H,9H2,1H3/p+1