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

Systemtic Name: 3,3,14,14-tetrakis(4-chlorophenyl)hexadecanedioic acid Openeye Name: 3,3,14,14-tetrakis(4-chlorophenyl)hexadecanedioic acid CAS Name: 3,3,14,14-tetrakis(4-chlorophenyl)hexadecanedioic acid IUPAC Name: 3,3,14,14-tetrakis(4-chlorophenyl)hexadecanedioic acid Traditional Name: 3,3,14,14-tetrakis(4-chlorophenyl)thapsic acid Formula: C40H42Cl4O4 MolecularWeight: 728.57108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCCCCCCCCC(CC(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)(CC(=O)O)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CCCCCCCCCCC(CC(=O)O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)(CC(=O)O)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C40H42Cl4O4/c41-33-17-9-29(10-18-33)39(27-37(45)46,30-11-19-34(42)20-12-30)25-7-5-3-1-2-4-6-8-26-40(28-38(47)48,31-13-21-35(43)22-14-31)32-15-23-36(44)24-16-32/h9-24H,1-8,25-28H2,(H,45,46)(H,47,48)