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2-(2-octylphenoxy)benzoate; 2-phenoxybenzoate

2-(2-octylphenoxy)benzoate; 2-phenoxybenzoate

Systemtic Name:2-(2-octylphenoxy)benzoate; 2-phenoxybenzoate
Openeye Name:2-(2-octylphenoxy)benzoate; 2-phenoxybenzoate
CAS Name:2-(2-octylphenoxy)benzoate; 2-phenoxybenzoate
IUPAC Name:2-(2-octylphenoxy)benzoate; 2-phenoxybenzoate
Traditional Name:2-(2-octylphenoxy)benzoate; 2-phenoxybenzoate
Formula: C34H34O6-2
MolecularWeight: 538.63016
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-]


Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-]


InChI

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


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