but-2-ynoxybenzene; 5,5-dimethyl-N-oxidanyl-3-sulfonyl-1,3-thiazolidin-3-ium-4-carboxamide

Systemtic Name: but-2-ynoxybenzene; 5,5-dimethyl-N-oxidanyl-3-sulfonyl-1,3-thiazolidin-3-ium-4-carboxamide Openeye Name: but-2-ynoxybenzene; 5,5-dimethyl-3-sulfonyl-thiazolidin-3-ium-4-carbohydroxamic acid CAS Name: but-2-ynoxybenzene; N-hydroxy-5,5-dimethyl-3-sulfonyl-4-thiazolidin-3-iumcarboxamide IUPAC Name: but-2-ynoxybenzene; N-hydroxy-5,5-dimethyl-3-sulfonyl-1,3-thiazolidin-3-ium-4-carboxamide Traditional Name: but-2-ynoxybenzene; 5,5-dimethyl-3-sulfonyl-thiazolidin-3-ium-4-carbohydroxamic acid Formula: C16H21N2O5S2+ MolecularWeight: 385.47834

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CS1)C(=O)NO)C

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CS1)C(=O)NO)C

InChI

InChI=1S/C10H10O.C6H10N2O4S2/c1-2-3-9-11-10-7-5-4-6-8-10;1-6(2)4(5(9)7-10)8(3-13-6)14(11)12/h4-8H,9H2,1H3;4H,3H2,1-2H3,(H-,7,9,10)/p+1