ethene; 3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-(3-oxidanylpropyl)cyclohexan-1-one

Systemtic Name: ethene; 3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-(3-oxidanylpropyl)cyclohexan-1-one Openeye Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-(3-hydroxypropyl)cyclohexanone; ethylene CAS Name: ethene; 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-4-(3-hydroxypropyl)-1-cyclohexanone IUPAC Name: ethene; 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-4-(3-hydroxypropyl)cyclohexan-1-one Traditional Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-(3-hydroxypropyl)cyclohexanone; ethylene Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CCCO)O.C=C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CCCO)O.C=C

InChI

InChI=1S/C24H38O3.C2H4/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25;1-2/h11,13,16,18,22,25,27H,4-10,12,14-15,17H2,1-3H3;1-2H2