2,8-bis[(4-butylphenyl)methyl]cyclooctan-1-one

Systemtic Name: 2,8-bis[(4-butylphenyl)methyl]cyclooctan-1-one Openeye Name: 2,8-bis[(4-butylphenyl)methyl]cyclooctanone CAS Name: 2,8-bis[(4-butylphenyl)methyl]-1-cyclooctanone IUPAC Name: 2,8-bis[(4-butylphenyl)methyl]cyclooctan-1-one Traditional Name: 2,8-bis(4-butylbenzyl)cyclooctanone Formula: C30H42O MolecularWeight: 418.65388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2CCCCCC(C2=O)CC3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2CCCCCC(C2=O)CC3=CC=C(C=C3)CCCC

InChI

InChI=1S/C30H42O/c1-3-5-10-24-14-18-26(19-15-24)22-28-12-8-7-9-13-29(30(28)31)23-27-20-16-25(17-21-27)11-6-4-2/h14-21,28-29H,3-13,22-23H2,1-2H3