(2S,7S)-2-hexyl-7-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxepane

Systemtic Name: (2S,7S)-2-hexyl-7-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxepane Openeye Name: (2S,7S)-2-hexyl-7-[[(R)-p-tolylsulfinyl]methyl]oxepane CAS Name: (2S,7S)-2-hexyl-7-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxepane IUPAC Name: (2S,7S)-2-hexyl-7-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxepane Traditional Name: (2S,7S)-2-hexyl-7-[[(R)-p-tolylsulfinyl]methyl]oxepane Formula: C20H32O2S MolecularWeight: 336.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCCC(O1)CS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC[C@H]1CCCC[C@H](O1)C[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H32O2S/c1-3-4-5-6-9-18-10-7-8-11-19(22-18)16-23(21)20-14-12-17(2)13-15-20/h12-15,18-19H,3-11,16H2,1-2H3/t18-,19-,23+/m0/s1