but-2-ynoxybenzene; 2,2,6-trimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid

Systemtic Name: but-2-ynoxybenzene; 2,2,6-trimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid Openeye Name: but-2-ynoxybenzene; 2,2,6-trimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid CAS Name: but-2-ynoxybenzene; 2,2,6-trimethyl-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid IUPAC Name: but-2-ynoxybenzene; 2,2,6-trimethyl-4-sulfonylthiomorpholin-4-ium-3-carboxylic acid Traditional Name: but-2-ynoxybenzene; 2,2,6-trimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid Formula: C18H24NO5S2+ MolecularWeight: 398.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC1C[N+](=S(=O)=O)C(C(S1)(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC1C[N+](=S(=O)=O)C(C(S1)(C)C)C(=O)O

InChI

InChI=1S/C10H10O.C8H13NO4S2/c1-2-3-9-11-10-7-5-4-6-8-10;1-5-4-9(15(12)13)6(7(10)11)8(2,3)14-5/h4-8H,9H2,1H3;5-6H,4H2,1-3H3/p+1