7-(4-chlorophenyl)-2-(3,5-ditert-butylphenoxy)heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butylphenoxy)heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butylphenoxy)heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butylphenoxy)heptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butylphenoxy)heptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(3,5-ditert-butylphenoxy)enanthic acid Formula: C27H37ClO3 MolecularWeight: 445.03388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)OC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)OC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O)C(C)(C)C

InChI

InChI=1S/C27H37ClO3/c1-26(2,3)20-16-21(27(4,5)6)18-23(17-20)31-24(25(29)30)11-9-7-8-10-19-12-14-22(28)15-13-19/h12-18,24H,7-11H2,1-6H3,(H,29,30)