4-[2-(1,3-dioxan-2-yl)-6-phenylmethoxy-phenyl]carbonyl-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[2-(1,3-dioxan-2-yl)-6-phenylmethoxy-phenyl]carbonyl-3,5-dimethyl-benzoic acid Openeye Name: 4-[2-benzyloxy-6-(1,3-dioxan-2-yl)benzoyl]-3,5-dimethyl-benzoic acid CAS Name: 4-[[2-(1,3-dioxan-2-yl)-6-phenylmethoxyphenyl]-oxomethyl]-3,5-dimethylbenzoic acid IUPAC Name: 4-[2-(1,3-dioxan-2-yl)-6-phenylmethoxybenzoyl]-3,5-dimethylbenzoic acid Traditional Name: 4-[2-benzoxy-6-(1,3-dioxan-2-yl)benzoyl]-3,5-dimethyl-benzoic acid Formula: C27H26O6 MolecularWeight: 446.49174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=C(C=CC=C2OCC3=CC=CC=C3)C4OCCCO4)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=C(C=CC=C2OCC3=CC=CC=C3)C4OCCCO4)C)C(=O)O

InChI

InChI=1S/C27H26O6/c1-17-14-20(26(29)30)15-18(2)23(17)25(28)24-21(27-31-12-7-13-32-27)10-6-11-22(24)33-16-19-8-4-3-5-9-19/h3-6,8-11,14-15,27H,7,12-13,16H2,1-2H3,(H,29,30)