2-octan-3-yloxycarbonyl-6-phenyl-benzoate

Systemtic Name: 2-octan-3-yloxycarbonyl-6-phenyl-benzoate Openeye Name: 2-(1-ethylhexoxycarbonyl)-6-phenyl-benzoate CAS Name: 2-[octan-3-yloxy(oxo)methyl]-6-phenylbenzoate IUPAC Name: 2-octan-3-yloxycarbonyl-6-phenylbenzoate Traditional Name: 2-(1-ethylhexoxycarbonyl)-6-phenyl-benzoate Formula: C22H25O4- MolecularWeight: 353.4315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC=CC(=C1C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC=CC(=C1C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C22H26O4/c1-3-5-7-13-17(4-2)26-22(25)19-15-10-14-18(20(19)21(23)24)16-11-8-6-9-12-16/h6,8-12,14-15,17H,3-5,7,13H2,1-2H3,(H,23,24)/p-1