2-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-butanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-butanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-butanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-methylbutanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-methylbutanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-butyric acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-4-5-10-20-12-6-8-13(9-7-12)21(18,19)14(11(2)3)15(16)17/h6-9,11,14H,10H2,1-3H3,(H,16,17)