5-[3-(1,3-dioxan-2-yl)-4-phenylmethoxy-phenyl]-2-phenylmethoxy-benzoic acid

Systemtic Name: 5-[3-(1,3-dioxan-2-yl)-4-phenylmethoxy-phenyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[4-benzyloxy-3-(1,3-dioxan-2-yl)phenyl]benzoic acid CAS Name: 5-[3-(1,3-dioxan-2-yl)-4-phenylmethoxyphenyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[3-(1,3-dioxan-2-yl)-4-phenylmethoxyphenyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[4-benzoxy-3-(1,3-dioxan-2-yl)phenyl]benzoic acid Formula: C31H28O6 MolecularWeight: 496.55042

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)C2=C(C=CC(=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

C1COC(OC1)C2=C(C=CC(=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28O6/c32-30(33)26-18-24(12-14-28(26)36-20-22-8-3-1-4-9-22)25-13-15-29(37-21-23-10-5-2-6-11-23)27(19-25)31-34-16-7-17-35-31/h1-6,8-15,18-19,31H,7,16-17,20-21H2,(H,32,33)