(3S,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one

Systemtic Name: (3S,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Openeye Name: (3S,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one CAS Name: (3S,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one IUPAC Name: (3S,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one Traditional Name: (3S,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(OC2=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)[C@H](OC2=O)C3=CC=CC=C3

InChI

InChI=1S/C14H16O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+,13-/m1/s1