3-(4-octan-2-yloxycarbonylphenyl)-4-(4-octoxyphenyl)benzoic acid

Systemtic Name: 3-(4-octan-2-yloxycarbonylphenyl)-4-(4-octoxyphenyl)benzoic acid Openeye Name: 3-[4-(1-methylheptoxycarbonyl)phenyl]-4-(4-octoxyphenyl)benzoic acid CAS Name: 3-[4-[octan-2-yloxy(oxo)methyl]phenyl]-4-(4-octoxyphenyl)benzoic acid IUPAC Name: 3-(4-octan-2-yloxycarbonylphenyl)-4-(4-octoxyphenyl)benzoic acid Traditional Name: 3-[4-(1-methylheptoxycarbonyl)phenyl]-4-(4-octoxyphenyl)benzoic acid 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)O)C3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C36H46O5/c1-4-6-8-10-11-13-25-40-32-22-19-28(20-23-32)33-24-21-31(35(37)38)26-34(33)29-15-17-30(18-16-29)36(39)41-27(3)14-12-9-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3,(H,37,38)