(2R,3S,4R)-4-chloranyl-2-methyl-1-phenylsulfanyl-heptan-3-ol

Systemtic Name: (2R,3S,4R)-4-chloranyl-2-methyl-1-phenylsulfanyl-heptan-3-ol Openeye Name: (2R,3S,4R)-4-chloro-2-methyl-1-phenylsulfanyl-heptan-3-ol CAS Name: (2R,3S,4R)-4-chloro-2-methyl-1-(phenylthio)-3-heptanol IUPAC Name: (2R,3S,4R)-4-chloro-2-methyl-1-phenylsulfanylheptan-3-ol Traditional Name: (2R,3S,4R)-4-chloro-2-methyl-1-(phenylthio)heptan-3-ol Formula: C14H21ClOS MolecularWeight: 272.83394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)CSC1=CC=CC=C1)O)Cl

Isomeric SMILES

CCC[C@H]([C@H]([C@@H](C)CSC1=CC=CC=C1)O)Cl

InChI

InChI=1S/C14H21ClOS/c1-3-7-13(15)14(16)11(2)10-17-12-8-5-4-6-9-12/h4-6,8-9,11,13-14,16H,3,7,10H2,1-2H3/t11-,13+,14-/m0/s1