but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate

Systemtic Name: but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate Openeye Name: but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate CAS Name: but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonyl-3-thiomorpholin-4-iumcarboxylate IUPAC Name: but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonylthiomorpholin-4-ium-3-carboxylate Traditional Name: but-2-ynoxybenzene; 2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate Formula: C17H21NO5S2 MolecularWeight: 383.48234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O.C7H11NO4S2/c1-2-3-9-11-10-7-5-4-6-8-10;1-7(2)5(6(9)10)8(14(11)12)3-4-13-7/h4-8H,9H2,1H3;5H,3-4H2,1-2H3