4-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one

Systemtic Name: 4-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one Openeye Name: 4-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one CAS Name: 4-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one IUPAC Name: 4-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one Traditional Name: 4-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one Formula: C18H22O3 MolecularWeight: 286.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C1C=CC(COC3=CC=CC=C3)O)CCC2=O

Isomeric SMILES

C1CC2C(C1/C=C/C(COC3=CC=CC=C3)O)CCC2=O

InChI

InChI=1S/C18H22O3/c19-14(12-21-15-4-2-1-3-5-15)8-6-13-7-9-17-16(13)10-11-18(17)20/h1-6,8,13-14,16-17,19H,7,9-12H2/b8-6+