(2-decyl-3-methoxy-5-pentyl-phenyl) 17-(3-chloranyl-4-methoxy-phenyl)heptadecanoate

Systemtic Name: (2-decyl-3-methoxy-5-pentyl-phenyl) 17-(3-chloranyl-4-methoxy-phenyl)heptadecanoate Openeye Name: (2-decyl-3-methoxy-5-pentyl-phenyl) 17-(3-chloro-4-methoxy-phenyl)heptadecanoate CAS Name: 17-(3-chloro-4-methoxyphenyl)heptadecanoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester IUPAC Name: (2-decyl-3-methoxy-5-pentylphenyl) 17-(3-chloro-4-methoxyphenyl)heptadecanoate Traditional Name: 17-(3-chloro-4-methoxy-phenyl)heptadecanoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester Formula: C46H75ClO4 MolecularWeight: 727.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=C(C=C1OC)CCCCC)OC(=O)CCCCCCCCCCCCCCCCC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCCCCCCCCCC1=C(C=C(C=C1OC)CCCCC)OC(=O)CCCCCCCCCCCCCCCCC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C46H75ClO4/c1-5-7-9-10-11-21-24-28-32-41-44(50-4)37-40(31-26-8-6-2)38-45(41)51-46(48)33-29-25-22-19-17-15-13-12-14-16-18-20-23-27-30-39-34-35-43(49-3)42(47)36-39/h34-38H,5-33H2,1-4H3