4-[[2-(3-tert-butyl-4-propan-2-yloxy-phenyl)-2-oxidanyl-2-phenyl-ethanoyl]oxymethyl]benzoic acid

Systemtic Name: 4-[[2-(3-tert-butyl-4-propan-2-yloxy-phenyl)-2-oxidanyl-2-phenyl-ethanoyl]oxymethyl]benzoic acid Openeye Name: 4-[[2-(3-tert-butyl-4-isopropoxy-phenyl)-2-hydroxy-2-phenyl-acetyl]oxymethyl]benzoic acid CAS Name: 4-[[2-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-hydroxy-1-oxo-2-phenylethoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-hydroxy-2-phenylacetyl]oxymethyl]benzoic acid Traditional Name: 4-[[2-(3-tert-butyl-4-isopropoxy-phenyl)-2-hydroxy-2-phenyl-acetyl]oxymethyl]benzoic acid Formula: C29H32O6 MolecularWeight: 476.56078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC3=CC=C(C=C3)C(=O)O)O)C(C)(C)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC3=CC=C(C=C3)C(=O)O)O)C(C)(C)C

InChI

InChI=1S/C29H32O6/c1-19(2)35-25-16-15-23(17-24(25)28(3,4)5)29(33,22-9-7-6-8-10-22)27(32)34-18-20-11-13-21(14-12-20)26(30)31/h6-17,19,33H,18H2,1-5H3,(H,30,31)