2-[[4-(2-carboxy-5-ethynoxy-phenyl)carbonyloxynaphthalen-1-yl]peroxymethyl]-4-(2-phenoxyethynoxy)benzoic acid

Systemtic Name: 2-[[4-(2-carboxy-5-ethynoxy-phenyl)carbonyloxynaphthalen-1-yl]peroxymethyl]-4-(2-phenoxyethynoxy)benzoic acid Openeye Name: 2-[[4-(2-carboxy-5-ethynoxy-benzoyl)oxy-1-naphthyl]peroxymethyl]-4-(2-phenoxyethynoxy)benzoic acid CAS Name: 2-[[4-[(2-carboxy-5-ethynoxyphenyl)-oxomethoxy]-1-naphthalenyl]dioxymethyl]-4-(2-phenoxyethynoxy)benzoic acid IUPAC Name: 2-[[4-(2-carboxy-5-ethynoxybenzoyl)oxynaphthalen-1-yl]peroxymethyl]-4-(2-phenoxyethynoxy)benzoic acid Traditional Name: 2-[[4-(2-carboxy-5-ethynoxy-benzoyl)oxy-1-naphthyl]peroxymethyl]-4-(2-phenoxyethynoxy)benzoic acid Formula: C36H22O11 MolecularWeight: 630.55328

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Descriptors Computed from Structure

Canonical SMILES:

C#COC1=CC(=C(C=C1)C(=O)O)C(=O)OC2=CC=C(C3=CC=CC=C32)OOCC4=C(C=CC(=C4)OC#COC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C#COC1=CC(=C(C=C1)C(=O)O)C(=O)OC2=CC=C(C3=CC=CC=C32)OOCC4=C(C=CC(=C4)OC#COC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C36H22O11/c1-2-42-26-13-15-30(35(39)40)31(21-26)36(41)46-32-16-17-33(29-11-7-6-10-28(29)32)47-45-22-23-20-25(12-14-27(23)34(37)38)44-19-18-43-24-8-4-3-5-9-24/h1,3-17,20-21H,22H2,(H,37,38)(H,39,40)