4-(4-hexadecoxyphenyl)benzoic acid

Systemtic Name: 4-(4-hexadecoxyphenyl)benzoic acid Openeye Name: 4-(4-hexadecoxyphenyl)benzoic acid CAS Name: 4-(4-hexadecoxyphenyl)benzoic acid IUPAC Name: 4-(4-hexadecoxyphenyl)benzoic acid Traditional Name: 4-(4-cetyloxyphenyl)benzoic acid Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C29H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-32-28-22-20-26(21-23-28)25-16-18-27(19-17-25)29(30)31/h16-23H,2-15,24H2,1H3,(H,30,31)