methyl 4-[4-(4,4-dimethyl-1-oxidanyl-pentyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(4,4-dimethyl-1-oxidanyl-pentyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-hydroxy-4,4-dimethyl-pentyl)phenyl]butanoate CAS Name: 4-[4-(1-hydroxy-4,4-dimethylpentyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-hydroxy-4,4-dimethylpentyl)phenyl]butanoate Traditional Name: 4-[4-(1-hydroxy-4,4-dimethyl-pentyl)phenyl]butyric acid methyl ester Formula: C18H28O3 MolecularWeight: 292.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC(C1=CC=C(C=C1)CCCC(=O)OC)O

Isomeric SMILES

CC(C)(C)CCC(C1=CC=C(C=C1)CCCC(=O)OC)O

InChI

InChI=1S/C18H28O3/c1-18(2,3)13-12-16(19)15-10-8-14(9-11-15)6-5-7-17(20)21-4/h8-11,16,19H,5-7,12-13H2,1-4H3