4-(4-octoxyphenyl)-3-phenyl-benzoic acid

Systemtic Name: 4-(4-octoxyphenyl)-3-phenyl-benzoic acid Openeye Name: 4-(4-octoxyphenyl)-3-phenyl-benzoic acid CAS Name: 4-(4-octoxyphenyl)-3-phenylbenzoic acid IUPAC Name: 4-(4-octoxyphenyl)-3-phenylbenzoic acid Traditional Name: 4-(4-octoxyphenyl)-3-phenyl-benzoic acid Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H30O3/c1-2-3-4-5-6-10-19-30-24-16-13-22(14-17-24)25-18-15-23(27(28)29)20-26(25)21-11-8-7-9-12-21/h7-9,11-18,20H,2-6,10,19H2,1H3,(H,28,29)