5,5-bis(3-methyl-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-one

Systemtic Name: 5,5-bis(3-methyl-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-one Openeye Name: 5,5-bis(4-hydroxy-3-methyl-phenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-one CAS Name: 5,5-bis(4-hydroxy-3-methylphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-one IUPAC Name: 5,5-bis(4-hydroxy-3-methylphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-one Traditional Name: 5,5-bis(4-hydroxy-3-methyl-phenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-one Formula: C22H24O3 MolecularWeight: 336.42416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CC3CC(=O)CC3C2)C4=CC(=C(C=C4)O)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CC3CC(=O)CC3C2)C4=CC(=C(C=C4)O)C)O

InChI

InChI=1S/C22H24O3/c1-13-7-17(3-5-20(13)24)22(18-4-6-21(25)14(2)8-18)11-15-9-19(23)10-16(15)12-22/h3-8,15-16,24-25H,9-12H2,1-2H3