(2S)-1-(phenylsulfonyl)heptan-2-ol

Systemtic Name: (2S)-1-(phenylsulfonyl)heptan-2-ol Openeye Name: (2S)-1-(benzenesulfonyl)heptan-2-ol CAS Name: (2S)-1-(benzenesulfonyl)-2-heptanol IUPAC Name: (2S)-1-(benzenesulfonyl)heptan-2-ol Traditional Name: (2S)-1-besylheptan-2-ol Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CS(=O)(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCC[C@@H](CS(=O)(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C13H20O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t12-/m0/s1