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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C([N+](=S(=O)=O)CCS1)C(=O)O)CC.CC#CCOC1=CC=CC=C1

Isomeric SMILES

CCC1(C([N+](=S(=O)=O)CCS1)C(=O)O)CC.CC#CCOC1=CC=CC=C1

InChI

InChI=1S/C10H10O.C9H15NO4S2/c1-2-3-9-11-10-7-5-4-6-8-10;1-3-9(4-2)7(8(11)12)10(16(13)14)5-6-15-9/h4-8H,9H2,1H3;7H,3-6H2,1-2H3/p+1