5-hexadecoxy-2-phenyl-benzoic acid

Systemtic Name: 5-hexadecoxy-2-phenyl-benzoic acid Openeye Name: 5-hexadecoxy-2-phenyl-benzoic acid CAS Name: 5-hexadecoxy-2-phenylbenzoic acid IUPAC Name: 5-hexadecoxy-2-phenylbenzoic acid Traditional Name: 5-cetyloxy-2-phenyl-benzoic acid Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-32-26-21-22-27(28(24-26)29(30)31)25-19-16-15-17-20-25/h15-17,19-22,24H,2-14,18,23H2,1H3,(H,30,31)