2-(3-chlorophenyl)-3-(2-methylbutoxycarbonyl)-4-tetradecoxy-benzoate

Systemtic Name: 2-(3-chlorophenyl)-3-(2-methylbutoxycarbonyl)-4-tetradecoxy-benzoate Openeye Name: 2-(3-chlorophenyl)-3-(2-methylbutoxycarbonyl)-4-tetradecoxy-benzoate CAS Name: 2-(3-chlorophenyl)-3-[2-methylbutoxy(oxo)methyl]-4-tetradecoxybenzoate IUPAC Name: 2-(3-chlorophenyl)-3-(2-methylbutoxycarbonyl)-4-tetradecoxybenzoate Traditional Name: 2-(3-chlorophenyl)-3-(2-methylbutoxycarbonyl)-4-myristyloxy-benzoate Formula: C33H46ClO5- MolecularWeight: 558.16834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=CC(=CC=C2)Cl)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)[O-])C2=CC(=CC=C2)Cl)C(=O)OCC(C)CC

InChI

InChI=1S/C33H47ClO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-22-38-29-21-20-28(32(35)36)30(26-18-17-19-27(34)23-26)31(29)33(37)39-24-25(3)5-2/h17-21,23,25H,4-16,22,24H2,1-3H3,(H,35,36)/p-1