3,3-bis[(3-butan-2-yl-4-oxidanyl-phenyl)methyl]pentane-2,4-dione

Systemtic Name: 3,3-bis[(3-butan-2-yl-4-oxidanyl-phenyl)methyl]pentane-2,4-dione Openeye Name: 3,3-bis[(4-hydroxy-3-sec-butyl-phenyl)methyl]pentane-2,4-dione CAS Name: 3,3-bis[(3-butan-2-yl-4-hydroxyphenyl)methyl]pentane-2,4-dione IUPAC Name: 3,3-bis[(3-butan-2-yl-4-hydroxyphenyl)methyl]pentane-2,4-dione Traditional Name: 3,3-bis(4-hydroxy-3-sec-butyl-benzyl)pentane-2,4-dione Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)CC(CC2=CC(=C(C=C2)O)C(C)CC)(C(=O)C)C(=O)C)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)CC(CC2=CC(=C(C=C2)O)C(C)CC)(C(=O)C)C(=O)C)O

InChI

InChI=1S/C27H36O4/c1-7-17(3)23-13-21(9-11-25(23)30)15-27(19(5)28,20(6)29)16-22-10-12-26(31)24(14-22)18(4)8-2/h9-14,17-18,30-31H,7-8,15-16H2,1-6H3