2-but-2-ynyl-2-(4-methoxyphenyl)sulfonyl-hex-4-ynoic acid

Systemtic Name: 2-but-2-ynyl-2-(4-methoxyphenyl)sulfonyl-hex-4-ynoic acid Openeye Name: 2-but-2-ynyl-2-(4-methoxyphenyl)sulfonyl-hex-4-ynoic acid CAS Name: 2-but-2-ynyl-2-(4-methoxyphenyl)sulfonyl-4-hexynoic acid IUPAC Name: 2-but-2-ynyl-2-(4-methoxyphenyl)sulfonylhex-4-ynoic acid Traditional Name: 2-but-2-ynyl-2-(4-methoxyphenyl)sulfonyl-hex-4-ynoic acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C17H18O5S/c1-4-6-12-17(16(18)19,13-7-5-2)23(20,21)15-10-8-14(22-3)9-11-15/h8-11H,12-13H2,1-3H3,(H,18,19)