6-methylheptyl 3-(3,5-dibutyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 6-methylheptyl 3-(3,5-dibutyl-4-oxidanyl-phenyl)propanoate Openeye Name: 6-methylheptyl 3-(3,5-dibutyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-dibutyl-4-hydroxyphenyl)propanoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 3-(3,5-dibutyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-dibutyl-4-hydroxy-phenyl)propionic acid 6-methylheptyl ester Formula: C25H42O3 MolecularWeight: 390.59918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1O)CCCC)CCC(=O)OCCCCCC(C)C

Isomeric SMILES

CCCCC1=CC(=CC(=C1O)CCCC)CCC(=O)OCCCCCC(C)C

InChI

InChI=1S/C25H42O3/c1-5-7-13-22-18-21(19-23(25(22)27)14-8-6-2)15-16-24(26)28-17-11-9-10-12-20(3)4/h18-20,27H,5-17H2,1-4H3