2-(4-but-2-ynoxyphenyl)-3-sulfonyl-aziridine-2-carboxylic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)-3-sulfonyl-aziridine-2-carboxylic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)-3-sulfonyl-aziridine-2-carboxylic acid CAS Name: 2-(4-but-2-ynoxyphenyl)-3-sulfonyl-2-aziridinecarboxylic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)-3-sulfonylaziridine-2-carboxylic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)-3-sulfonyl-ethylenimine-2-carboxylic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)N2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)N2)C(=O)O

InChI

InChI=1S/C13H11NO5S/c1-2-3-8-19-10-6-4-9(5-7-10)13(12(15)16)11(14-13)20(17)18/h4-7,14H,8H2,1H3,(H,15,16)