octan-2-yloxycarbonyl 4-(4-octoxyphenyl)-3-phenyl-benzoate

Systemtic Name: octan-2-yloxycarbonyl 4-(4-octoxyphenyl)-3-phenyl-benzoate Openeye Name: 1-methylheptoxycarbonyl 4-(4-octoxyphenyl)-3-phenyl-benzoate CAS Name: 4-(4-octoxyphenyl)-3-phenylbenzoic acid [octan-2-yloxy(oxo)methyl] ester IUPAC Name: octan-2-yloxycarbonyl 4-(4-octoxyphenyl)-3-phenylbenzoate Traditional Name: 4-(4-octoxyphenyl)-3-phenyl-benzoic acid 1-methylheptoxycarbonyl ester Formula: C36H46O5 MolecularWeight: 558.74744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC(=O)OC(C)CCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC(=O)OC(C)CCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C36H46O5/c1-4-6-8-10-11-16-26-39-32-23-20-30(21-24-32)33-25-22-31(27-34(33)29-18-14-12-15-19-29)35(37)41-36(38)40-28(3)17-13-9-7-5-2/h12,14-15,18-25,27-28H,4-11,13,16-17,26H2,1-3H3