3,3,14,14-tetrakis(4-methoxyphenyl)hexadecanedioic acid

Systemtic Name: 3,3,14,14-tetrakis(4-methoxyphenyl)hexadecanedioic acid Openeye Name: 3,3,14,14-tetrakis(4-methoxyphenyl)hexadecanedioic acid CAS Name: 3,3,14,14-tetrakis(4-methoxyphenyl)hexadecanedioic acid IUPAC Name: 3,3,14,14-tetrakis(4-methoxyphenyl)hexadecanedioic acid Traditional Name: 3,3,14,14-tetrakis(4-methoxyphenyl)thapsic acid Formula: C44H54O8 MolecularWeight: 710.89476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCCCCCCCCCC(CC(=O)O)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)(CC(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CCCCCCCCCCC(CC(=O)O)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)(CC(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C44H54O8/c1-49-37-21-13-33(14-22-37)43(31-41(45)46,34-15-23-38(50-2)24-16-34)29-11-9-7-5-6-8-10-12-30-44(32-42(47)48,35-17-25-39(51-3)26-18-35)36-19-27-40(52-4)28-20-36/h13-28H,5-12,29-32H2,1-4H3,(H,45,46)(H,47,48)