2-phenethyloxybenzoic acid; 2-phenoxybenzoate; 2-phenylmethoxybenzoic acid

Systemtic Name: 2-phenethyloxybenzoic acid; 2-phenoxybenzoate; 2-phenylmethoxybenzoic acid Openeye Name: 2-benzyloxybenzoic acid; 2-phenethyloxybenzoic acid; 2-phenoxybenzoate CAS Name: 2-phenethyloxybenzoic acid; 2-phenoxybenzoate; 2-phenylmethoxybenzoic acid IUPAC Name: 2-phenethyloxybenzoic acid; 2-phenoxybenzoate; 2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxybenzoic acid; 2-phenethyloxybenzoic acid; 2-phenoxybenzoate Formula: C42H35O9- MolecularWeight: 683.7219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC=C2C(=O)O.C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)O.C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC=C2C(=O)O.C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)O.C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H14O3.C14H12O3.C13H10O3/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12;15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11;14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,10-11H2,(H,16,17);1-9H,10H2,(H,15,16);1-9H,(H,14,15)/p-1