1-(2,6-ditert-butyl-4-methyl-phenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid

Systemtic Name: 1-(2,6-ditert-butyl-4-methyl-phenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid Openeye Name: 2-(benzyloxymethyl)-1-(2,6-ditert-butyl-4-methyl-phenyl)cyclopropanecarboxylic acid CAS Name: 1-(2,6-ditert-butyl-4-methylphenyl)-2-(phenylmethoxymethyl)-1-cyclopropanecarboxylic acid IUPAC Name: 1-(2,6-ditert-butyl-4-methylphenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid Traditional Name: 2-(benzoxymethyl)-1-(2,6-ditert-butyl-4-methyl-phenyl)cyclopropanecarboxylic acid Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)C2(CC2COCC3=CC=CC=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)C2(CC2COCC3=CC=CC=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C27H36O3/c1-18-13-21(25(2,3)4)23(22(14-18)26(5,6)7)27(24(28)29)15-20(27)17-30-16-19-11-9-8-10-12-19/h8-14,20H,15-17H2,1-7H3,(H,28,29)