(3S,4S)-3-(hydroxymethyl)-4-[2-(3-octylsulfonylphenyl)ethyl]oxetan-2-one

Systemtic Name: (3S,4S)-3-(hydroxymethyl)-4-[2-(3-octylsulfonylphenyl)ethyl]oxetan-2-one Openeye Name: (3S,4S)-3-(hydroxymethyl)-4-[2-(3-octylsulfonylphenyl)ethyl]oxetan-2-one CAS Name: (3S,4S)-3-(hydroxymethyl)-4-[2-(3-octylsulfonylphenyl)ethyl]-2-oxetanone IUPAC Name: (3S,4S)-3-(hydroxymethyl)-4-[2-(3-octylsulfonylphenyl)ethyl]oxetan-2-one Traditional Name: (3S,4S)-3-methylol-4-[2-(3-octylsulfonylphenyl)ethyl]oxetan-2-one Formula: C20H30O5S MolecularWeight: 382.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=CC=CC(=C1)CCC2C(C(=O)O2)CO

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=CC=CC(=C1)CC[C@H]2[C@@H](C(=O)O2)CO

InChI

InChI=1S/C20H30O5S/c1-2-3-4-5-6-7-13-26(23,24)17-10-8-9-16(14-17)11-12-19-18(15-21)20(22)25-19/h8-10,14,18-19,21H,2-7,11-13,15H2,1H3/t18-,19-/m0/s1