(3S,4aS,8aR)-3-phenethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one

Systemtic Name: (3S,4aS,8aR)-3-phenethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one Openeye Name: (3S,4aS,8aR)-3-phenethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one CAS Name: (3S,4aS,8aR)-3-phenethyl-3,4,4a,7,8,8a-hexahydro-2-benzopyran-1-one IUPAC Name: (3S,4aS,8aR)-3-phenethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one Traditional Name: (3S,4aS,8aR)-3-phenethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one Formula: C17H20O2 MolecularWeight: 256.3395

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC(OC2=O)CCC3=CC=CC=C3)C=C1

Isomeric SMILES

C1C[C@@H]2[C@@H](C[C@@H](OC2=O)CCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C17H20O2/c18-17-16-9-5-4-8-14(16)12-15(19-17)11-10-13-6-2-1-3-7-13/h1-4,6-8,14-16H,5,9-12H2/t14-,15+,16-/m1/s1