2-methylbutyl 2-chloranyl-4-[4-(4-tetradecoxyphenyl)phenyl]carbonyloxy-benzoate

Systemtic Name: 2-methylbutyl 2-chloranyl-4-[4-(4-tetradecoxyphenyl)phenyl]carbonyloxy-benzoate Openeye Name: 2-methylbutyl 2-chloro-4-[4-(4-tetradecoxyphenyl)benzoyl]oxy-benzoate CAS Name: 2-chloro-4-[oxo-[4-(4-tetradecoxyphenyl)phenyl]methoxy]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-chloro-4-[4-(4-tetradecoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-chloro-4-[4-(4-myristyloxyphenyl)benzoyl]oxy-benzoic acid 2-methylbutyl ester Formula: C39H51ClO5 MolecularWeight: 635.27224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OCC(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OCC(C)CC)Cl

InChI

InChI=1S/C39H51ClO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-27-43-34-23-21-32(22-24-34)31-17-19-33(20-18-31)38(41)45-35-25-26-36(37(40)28-35)39(42)44-29-30(3)5-2/h17-26,28,30H,4-16,27,29H2,1-3H3