4-[(2R,3R,4S)-2-(4-carboxyphenyl)-2,4-diphenyl-oxetan-3-yl]benzoic acid

Systemtic Name: 4-[(2R,3R,4S)-2-(4-carboxyphenyl)-2,4-diphenyl-oxetan-3-yl]benzoic acid Openeye Name: 4-[(2R,3R,4S)-2-(4-carboxyphenyl)-2,4-diphenyl-oxetan-3-yl]benzoic acid CAS Name: 4-[(2R,3R,4S)-2-(4-carboxyphenyl)-2,4-diphenyl-3-oxetanyl]benzoic acid IUPAC Name: 4-[(2R,3R,4S)-2-(4-carboxyphenyl)-2,4-diphenyloxetan-3-yl]benzoic acid Traditional Name: 4-[(2R,3R,4S)-2-(4-carboxyphenyl)-2,4-diphenyl-oxetan-3-yl]benzoic acid Formula: C29H22O5 MolecularWeight: 450.48198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(O2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H]([C@@](O2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H22O5/c30-27(31)21-13-11-19(12-14-21)25-26(20-7-3-1-4-8-20)34-29(25,23-9-5-2-6-10-23)24-17-15-22(16-18-24)28(32)33/h1-18,25-26H,(H,30,31)(H,32,33)/t25-,26-,29-/m1/s1