4-acetyloxy-2-[4-(4-heptoxyphenyl)phenyl]benzoic acid

Systemtic Name: 4-acetyloxy-2-[4-(4-heptoxyphenyl)phenyl]benzoic acid Openeye Name: 4-acetoxy-2-[4-(4-heptoxyphenyl)phenyl]benzoic acid CAS Name: 4-acetyloxy-2-[4-(4-heptoxyphenyl)phenyl]benzoic acid IUPAC Name: 4-acetyloxy-2-[4-(4-heptoxyphenyl)phenyl]benzoic acid Traditional Name: 4-acetoxy-2-[4-(4-heptoxyphenyl)phenyl]benzoic acid Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)OC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)OC(=O)C)C(=O)O

InChI

InChI=1S/C28H30O5/c1-3-4-5-6-7-18-32-24-14-12-22(13-15-24)21-8-10-23(11-9-21)27-19-25(33-20(2)29)16-17-26(27)28(30)31/h8-17,19H,3-7,18H2,1-2H3,(H,30,31)