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

Systemtic Name: 3,3,14,14-tetrakis(4-hydroxyphenyl)hexadecanedioic acid Openeye Name: 3,3,14,14-tetrakis(4-hydroxyphenyl)hexadecanedioic acid CAS Name: 3,3,14,14-tetrakis(4-hydroxyphenyl)hexadecanedioic acid IUPAC Name: 3,3,14,14-tetrakis(4-hydroxyphenyl)hexadecanedioic acid Traditional Name: 3,3,14,14-tetrakis(4-hydroxyphenyl)thapsic acid Formula: C40H46O8 MolecularWeight: 654.78844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H46O8/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/h9-24,41-44H,1-8,25-28H2,(H,45,46)(H,47,48)