(3R,3aS,7aS)-7a-(phenylsulfonyl)-3-propyl-3,3a,4,7-tetrahydro-2-benzofuran-1-one

Systemtic Name: (3R,3aS,7aS)-7a-(phenylsulfonyl)-3-propyl-3,3a,4,7-tetrahydro-2-benzofuran-1-one Openeye Name: (3R,3aS,7aS)-7a-(benzenesulfonyl)-3-propyl-3,3a,4,7-tetrahydroisobenzofuran-1-one CAS Name: (3R,3aS,7aS)-7a-(benzenesulfonyl)-3-propyl-3,3a,4,7-tetrahydroisobenzofuran-1-one IUPAC Name: (3R,3aS,7aS)-7a-(benzenesulfonyl)-3-propyl-3,3a,4,7-tetrahydro-2-benzofuran-1-one Traditional Name: (3R,3aS,7aS)-7a-besyl-3-propyl-3,3a,4,7-tetrahydroisobenzofuran-1-one Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2CC=CCC2(C(=O)O1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[C@@H]1[C@@H]2CC=CC[C@]2(C(=O)O1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20O4S/c1-2-8-15-14-11-6-7-12-17(14,16(18)21-15)22(19,20)13-9-4-3-5-10-13/h3-7,9-10,14-15H,2,8,11-12H2,1H3/t14-,15+,17-/m0/s1