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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CC3CCC(=O)C3C2)C4=CC(=C(C=C4)O)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CC3CCC(=O)C3C2)C4=CC(=C(C=C4)O)C)O

InChI

InChI=1S/C22H24O3/c1-13-9-16(4-7-19(13)23)22(17-5-8-20(24)14(2)10-17)11-15-3-6-21(25)18(15)12-22/h4-5,7-10,15,18,23-24H,3,6,11-12H2,1-2H3