[4-(4-octoxycarbonylphenyl)phenyl] 3-methyl-4-octoxy-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-methyl-4-octoxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-methyl-4-octoxy-benzoate CAS Name: 3-methyl-4-octoxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-methyl-4-octoxybenzoate Traditional Name: 3-methyl-4-octoxy-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C37H48O5 MolecularWeight: 572.77402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCCCCC)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCCCCC)C

InChI

InChI=1S/C37H48O5/c1-4-6-8-10-12-14-26-40-35-25-22-33(28-29(35)3)37(39)42-34-23-20-31(21-24-34)30-16-18-32(19-17-30)36(38)41-27-15-13-11-9-7-5-2/h16-25,28H,4-15,26-27H2,1-3H3