(2S)-1-[2-[(4S,5R)-4-methyl-5-phenylmethoxy-hexyl]-1,3-dithian-2-yl]but-3-en-2-ol

Systemtic Name: (2S)-1-[2-[(4S,5R)-4-methyl-5-phenylmethoxy-hexyl]-1,3-dithian-2-yl]but-3-en-2-ol Openeye Name: (2S)-1-[2-[(4S,5R)-5-benzyloxy-4-methyl-hexyl]-1,3-dithian-2-yl]but-3-en-2-ol CAS Name: (2S)-1-[2-[(4S,5R)-4-methyl-5-phenylmethoxyhexyl]-1,3-dithian-2-yl]-3-buten-2-ol IUPAC Name: (2S)-1-[2-[(4S,5R)-4-methyl-5-phenylmethoxyhexyl]-1,3-dithian-2-yl]but-3-en-2-ol Traditional Name: (2S)-1-[2-[(4S,5R)-5-benzoxy-4-methyl-hexyl]-1,3-dithian-2-yl]but-3-en-2-ol Formula: C22H34O2S2 MolecularWeight: 394.63416

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(SCCCS1)CC(C=C)O)C(C)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CCCC1(SCCCS1)C[C@@H](C=C)O)[C@@H](C)OCC2=CC=CC=C2

InChI

InChI=1S/C22H34O2S2/c1-4-21(23)16-22(25-14-9-15-26-22)13-8-10-18(2)19(3)24-17-20-11-6-5-7-12-20/h4-7,11-12,18-19,21,23H,1,8-10,13-17H2,2-3H3/t18-,19+,21+/m0/s1