4-[3,5-bis(3-butan-2-yl-4-oxidanyl-phenyl)-1-adamantyl]-2-butan-2-yl-phenol

Systemtic Name: 4-[3,5-bis(3-butan-2-yl-4-oxidanyl-phenyl)-1-adamantyl]-2-butan-2-yl-phenol Openeye Name: 4-[3,5-bis(4-hydroxy-3-sec-butyl-phenyl)-1-adamantyl]-2-sec-butyl-phenol CAS Name: 4-[3,5-bis(3-butan-2-yl-4-hydroxyphenyl)-1-adamantyl]-2-butan-2-ylphenol IUPAC Name: 4-[3,5-bis(3-butan-2-yl-4-hydroxyphenyl)-1-adamantyl]-2-butan-2-ylphenol Traditional Name: 4-[3,5-bis(4-hydroxy-3-sec-butyl-phenyl)-1-adamantyl]-2-sec-butyl-phenol Formula: C40H52O3 MolecularWeight: 580.83908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)C23CC4CC(C2)(CC(C4)(C3)C5=CC(=C(C=C5)O)C(C)CC)C6=CC(=C(C=C6)O)C(C)CC)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)C23CC4CC(C2)(CC(C4)(C3)C5=CC(=C(C=C5)O)C(C)CC)C6=CC(=C(C=C6)O)C(C)CC)O

InChI

InChI=1S/C40H52O3/c1-7-25(4)32-16-29(10-13-35(32)41)38-19-28-20-39(22-38,30-11-14-36(42)33(17-30)26(5)8-2)24-40(21-28,23-38)31-12-15-37(43)34(18-31)27(6)9-3/h10-18,25-28,41-43H,7-9,19-24H2,1-6H3