2-[(2-methylpropan-2-yl)oxy]-3-phenyl-benzoate; 2-(4-octylphenoxy)benzoate; 2-oxidanylbenzoate; 2-phenoxybenzoate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-benzoate; 2-(4-octylphenoxy)benzoate; 2-oxidanylbenzoate; 2-phenoxybenzoate Openeye Name: 2-tert-butoxy-3-phenyl-benzoate; 2-hydroxybenzoate; 2-(4-octylphenoxy)benzoate; 2-phenoxybenzoate CAS Name: 2-hydroxybenzoate; 2-[(2-methylpropan-2-yl)oxy]-3-phenylbenzoate; 2-(4-octylphenoxy)benzoate; 2-phenoxybenzoate IUPAC Name: 2-hydroxybenzoate; 2-[(2-methylpropan-2-yl)oxy]-3-phenylbenzoate; 2-(4-octylphenoxy)benzoate; 2-phenoxybenzoate Traditional Name: 2-tert-butoxy-3-phenyl-benzoate; 2-(4-octylphenoxy)benzoate; 2-phenoxybenzoate; salicylate Formula: C58H56O12-4 MolecularWeight: 945.05804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-].CC(C)(C)OC1=C(C=CC=C1C(=O)[O-])C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-].CC(C)(C)OC1=C(C=CC=C1C(=O)[O-])C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C21H26O3.C17H18O3.C13H10O3.C7H6O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-20-12-9-8-11-19(20)21(22)23;1-17(2,3)20-15-13(12-8-5-4-6-9-12)10-7-11-14(15)16(18)19;14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10/h8-9,11-16H,2-7,10H2,1H3,(H,22,23);4-11H,1-3H3,(H,18,19);1-9H,(H,14,15);1-4,8H,(H,9,10)/p-4