[4-(7-ethoxy-2-methyl-heptanoyl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-(7-ethoxy-2-methyl-heptanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(7-ethoxy-2-methyl-heptanoyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(7-ethoxy-2-methyl-1-oxoheptyl)phenyl] ester IUPAC Name: [4-(7-ethoxy-2-methylheptanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(7-ethoxy-2-methyl-heptanoyl)phenyl] ester Formula: C37H48O5 MolecularWeight: 572.77402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C(C)CCCCCOCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C(C)CCCCCOCC

InChI

InChI=1S/C37H48O5/c1-4-6-7-8-9-13-28-41-34-23-19-31(20-24-34)30-15-17-33(18-16-30)37(39)42-35-25-21-32(22-26-35)36(38)29(3)14-11-10-12-27-40-5-2/h15-26,29H,4-14,27-28H2,1-3H3