2-[2-(2-carboxy-5-ethynoxy-phenyl)carbonyloxypropan-2-ylperoxymethyl]-4-(2-phenoxyethynoxy)benzoic acid

Systemtic Name: 2-[2-(2-carboxy-5-ethynoxy-phenyl)carbonyloxypropan-2-ylperoxymethyl]-4-(2-phenoxyethynoxy)benzoic acid Openeye Name: 2-[[1-(2-carboxy-5-ethynoxy-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-4-(2-phenoxyethynoxy)benzoic acid CAS Name: 2-[2-[(2-carboxy-5-ethynoxyphenyl)-oxomethoxy]propan-2-yldioxymethyl]-4-(2-phenoxyethynoxy)benzoic acid IUPAC Name: 2-[2-(2-carboxy-5-ethynoxybenzoyl)oxypropan-2-ylperoxymethyl]-4-(2-phenoxyethynoxy)benzoic acid Traditional Name: 2-[[1-(2-carboxy-5-ethynoxy-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-4-(2-phenoxyethynoxy)benzoic acid Formula: C29H22O11 MolecularWeight: 546.47838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(OC(=O)C1=C(C=CC(=C1)OC#C)C(=O)O)OOCC2=C(C=CC(=C2)OC#COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(OC(=O)C1=C(C=CC(=C1)OC#C)C(=O)O)OOCC2=C(C=CC(=C2)OC#COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H22O11/c1-4-35-22-11-13-24(27(32)33)25(17-22)28(34)39-29(2,3)40-38-18-19-16-21(10-12-23(19)26(30)31)37-15-14-36-20-8-6-5-7-9-20/h1,5-13,16-17H,18H2,2-3H3,(H,30,31)(H,32,33)