[7-deuterio-4-(phenylsulfonyl)hept-1-en-6-yn-4-yl]sulfonylbenzene

Systemtic Name: [7-deuterio-4-(phenylsulfonyl)hept-1-en-6-yn-4-yl]sulfonylbenzene Openeye Name: [1-(benzenesulfonyl)-1-(3-deuterioprop-2-ynyl)but-3-enyl]sulfonylbenzene CAS Name: [4-(benzenesulfonyl)-7-deuteriohept-1-en-6-yn-4-yl]sulfonylbenzene IUPAC Name: [4-(benzenesulfonyl)-7-deuteriohept-1-en-6-yn-4-yl]sulfonylbenzene Traditional Name: [1-besyl-1-(3-deuterioprop-2-ynyl)but-3-enyl]sulfonylbenzene Formula: C19H18O4S2 MolecularWeight: 375.479982

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC#C)(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

[2H]C#CCC(CC=C)(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18O4S2/c1-3-15-19(16-4-2,24(20,21)17-11-7-5-8-12-17)25(22,23)18-13-9-6-10-14-18/h1,4-14H,2,15-16H2/i1D