1-(4-octylphenyl)ethyl 4-[4-(2-methylheptoxy)phenyl]benzoate

Systemtic Name: 1-(4-octylphenyl)ethyl 4-[4-(2-methylheptoxy)phenyl]benzoate Openeye Name: 1-(4-octylphenyl)ethyl 4-[4-(2-methylheptoxy)phenyl]benzoate CAS Name: 4-[4-(2-methylheptoxy)phenyl]benzoic acid 1-(4-octylphenyl)ethyl ester IUPAC Name: 1-(4-octylphenyl)ethyl 4-[4-(2-methylheptoxy)phenyl]benzoate Traditional Name: 4-[4-(2-methylheptoxy)phenyl]benzoic acid 1-(4-octylphenyl)ethyl ester Formula: C37H50O3 MolecularWeight: 542.7911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)CCCCC

InChI

InChI=1S/C37H50O3/c1-5-7-9-10-11-13-15-31-16-18-32(19-17-31)30(4)40-37(38)35-22-20-33(21-23-35)34-24-26-36(27-25-34)39-28-29(3)14-12-8-6-2/h16-27,29-30H,5-15,28H2,1-4H3