methyl 3-[[3-(2,2-dimethyl-1-oxidanyl-hexyl)phenoxy]methyl]benzoate

Systemtic Name: methyl 3-[[3-(2,2-dimethyl-1-oxidanyl-hexyl)phenoxy]methyl]benzoate Openeye Name: methyl 3-[[3-(1-hydroxy-2,2-dimethyl-hexyl)phenoxy]methyl]benzoate CAS Name: 3-[[3-(1-hydroxy-2,2-dimethylhexyl)phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(1-hydroxy-2,2-dimethylhexyl)phenoxy]methyl]benzoate Traditional Name: 3-[[3-(1-hydroxy-2,2-dimethyl-hexyl)phenoxy]methyl]benzoic acid methyl ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C1=CC(=CC=C1)OCC2=CC=CC(=C2)C(=O)OC)O

Isomeric SMILES

CCCCC(C)(C)C(C1=CC(=CC=C1)OCC2=CC=CC(=C2)C(=O)OC)O

InChI

InChI=1S/C23H30O4/c1-5-6-13-23(2,3)21(24)18-10-8-12-20(15-18)27-16-17-9-7-11-19(14-17)22(25)26-4/h7-12,14-15,21,24H,5-6,13,16H2,1-4H3