(E,3R)-4-(phenylsulfonyl)hept-4-en-3-ol

Systemtic Name: (E,3R)-4-(phenylsulfonyl)hept-4-en-3-ol Openeye Name: (E,3R)-4-(benzenesulfonyl)hept-4-en-3-ol CAS Name: (E,3R)-4-(benzenesulfonyl)-4-hepten-3-ol IUPAC Name: (E,3R)-4-(benzenesulfonyl)hept-4-en-3-ol Traditional Name: (E,3R)-4-besylhept-4-en-3-ol Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(CC)O)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC/C=C(\[C@@H](CC)O)/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O3S/c1-3-8-13(12(14)4-2)17(15,16)11-9-6-5-7-10-11/h5-10,12,14H,3-4H2,1-2H3/b13-8+/t12-/m1/s1