2-[4-(4-octan-2-yloxycarbonylphenyl)phenyl]-4-octoxy-benzoic acid

Systemtic Name: 2-[4-(4-octan-2-yloxycarbonylphenyl)phenyl]-4-octoxy-benzoic acid Openeye Name: 2-[4-[4-(1-methylheptoxycarbonyl)phenyl]phenyl]-4-octoxy-benzoic acid CAS Name: 2-[4-[4-[octan-2-yloxy(oxo)methyl]phenyl]phenyl]-4-octoxybenzoic acid IUPAC Name: 2-[4-(4-octan-2-yloxycarbonylphenyl)phenyl]-4-octoxybenzoic acid Traditional Name: 2-[4-[4-(1-methylheptoxycarbonyl)phenyl]phenyl]-4-octoxy-benzoic acid Formula: C36H46O5 MolecularWeight: 558.74744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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