1-(1,4-dithiocan-5-yl)-6-[2-(3-methoxyphenyl)-1,3-dithiolan-2-yl]hex-4-yn-3-ol

Systemtic Name: 1-(1,4-dithiocan-5-yl)-6-[2-(3-methoxyphenyl)-1,3-dithiolan-2-yl]hex-4-yn-3-ol Openeye Name: 1-(1,4-dithiocan-5-yl)-6-[2-(3-methoxyphenyl)-1,3-dithiolan-2-yl]hex-4-yn-3-ol CAS Name: 1-(1,4-dithiocan-5-yl)-6-[2-(3-methoxyphenyl)-1,3-dithiolan-2-yl]-4-hexyn-3-ol IUPAC Name: 1-(1,4-dithiocan-5-yl)-6-[2-(3-methoxyphenyl)-1,3-dithiolan-2-yl]hex-4-yn-3-ol Traditional Name: 1-(1,4-dithiocan-5-yl)-6-[2-(3-methoxyphenyl)-1,3-dithiolan-2-yl]hex-4-yn-3-ol Formula: C22H30O2S4 MolecularWeight: 454.7324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(SCCS2)CC#CC(CCC3CCCSCCS3)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(SCCS2)CC#CC(CCC3CCCSCCS3)O

InChI

InChI=1S/C22H30O2S4/c1-24-20-7-2-5-18(17-20)22(27-15-16-28-22)11-3-6-19(23)9-10-21-8-4-12-25-13-14-26-21/h2,5,7,17,19,21,23H,4,8-16H2,1H3