4,4,7-trimethyloct-6-en-1-yn-3-yl 4-methylbenzenesulfinate

Systemtic Name: 4,4,7-trimethyloct-6-en-1-yn-3-yl 4-methylbenzenesulfinate Openeye Name: (1-ethynyl-2,2,5-trimethyl-hex-4-enyl) 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid 4,4,7-trimethyloct-6-en-1-yn-3-yl ester IUPAC Name: 4,4,7-trimethyloct-6-en-1-yn-3-yl 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid (1-ethynyl-2,2,5-trimethyl-hex-4-enyl) ester Formula: C18H24O2S MolecularWeight: 304.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)OC(C#C)C(C)(C)CC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)OC(C#C)C(C)(C)CC=C(C)C

InChI

InChI=1S/C18H24O2S/c1-7-17(18(5,6)13-12-14(2)3)20-21(19)16-10-8-15(4)9-11-16/h1,8-12,17H,13H2,2-6H3