12-(4-phenylphenoxy)dodecyl 2-methylbutanoate

Systemtic Name: 12-(4-phenylphenoxy)dodecyl 2-methylbutanoate Openeye Name: 12-(4-phenylphenoxy)dodecyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 12-(4-phenylphenoxy)dodecyl ester IUPAC Name: 12-(4-phenylphenoxy)dodecyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 12-(4-phenylphenoxy)dodecyl ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)OCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C29H42O3/c1-3-25(2)29(30)32-24-16-11-9-7-5-4-6-8-10-15-23-31-28-21-19-27(20-22-28)26-17-13-12-14-18-26/h12-14,17-22,25H,3-11,15-16,23-24H2,1-2H3