1-[4-(4-heptylphenyl)phenyl]ethyl 2-heptoxypropanoate

Systemtic Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 2-heptoxypropanoate Openeye Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester Formula: C31H46O3 MolecularWeight: 466.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)C(C)OCCCCCCC

InChI

InChI=1S/C31H46O3/c1-5-7-9-11-13-15-27-16-18-29(19-17-27)30-22-20-28(21-23-30)25(3)34-31(32)26(4)33-24-14-12-10-8-6-2/h16-23,25-26H,5-15,24H2,1-4H3