4-(5-octoxy-2-phenyl-phenyl)benzoic acid

Systemtic Name: 4-(5-octoxy-2-phenyl-phenyl)benzoic acid Openeye Name: 4-(5-octoxy-2-phenyl-phenyl)benzoic acid CAS Name: 4-(5-octoxy-2-phenylphenyl)benzoic acid IUPAC Name: 4-(5-octoxy-2-phenylphenyl)benzoic acid Traditional Name: 4-(5-octoxy-2-phenyl-phenyl)benzoic acid Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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