2-but-2-ynyl-2-methoxy-3-(phenylsulfonyl)hex-4-ynoic acid

Systemtic Name: 2-but-2-ynyl-2-methoxy-3-(phenylsulfonyl)hex-4-ynoic acid Openeye Name: 3-(benzenesulfonyl)-2-but-2-ynyl-2-methoxy-hex-4-ynoic acid CAS Name: 3-(benzenesulfonyl)-2-but-2-ynyl-2-methoxy-4-hexynoic acid IUPAC Name: 3-(benzenesulfonyl)-2-but-2-ynyl-2-methoxyhex-4-ynoic acid Traditional Name: 3-besyl-2-but-2-ynyl-2-methoxy-hex-4-ynoic acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O5S/c1-4-6-13-17(22-3,16(18)19)15(10-5-2)23(20,21)14-11-8-7-9-12-14/h7-9,11-12,15H,13H2,1-3H3,(H,18,19)