(4-hexadecanoyloxyphenyl) 5-chloranyl-2-hexadecanoyloxy-benzoate

Systemtic Name: (4-hexadecanoyloxyphenyl) 5-chloranyl-2-hexadecanoyloxy-benzoate Openeye Name: (4-hexadecanoyloxyphenyl) 5-chloro-2-hexadecanoyloxy-benzoate CAS Name: 5-chloro-2-(1-oxohexadecoxy)benzoic acid [4-(1-oxohexadecoxy)phenyl] ester IUPAC Name: (4-hexadecanoyloxyphenyl) 5-chloro-2-hexadecanoyloxybenzoate Traditional Name: 5-chloro-2-hexadecanoyloxy-benzoic acid (4-hexadecanoyloxyphenyl) ester Formula: C45H69ClO6 MolecularWeight: 741.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Cl)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Cl)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H69ClO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43(47)50-39-32-34-40(35-33-39)51-45(49)41-37-38(46)31-36-42(41)52-44(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-37H,3-30H2,1-2H3