6,11-bis(oxidanylidene)-3,3,14,14-tetraphenyl-hexadecanedioic acid

Systemtic Name: 6,11-bis(oxidanylidene)-3,3,14,14-tetraphenyl-hexadecanedioic acid Openeye Name: 6,11-dioxo-3,3,14,14-tetraphenyl-hexadecanedioic acid CAS Name: 6,11-dioxo-3,3,14,14-tetraphenylhexadecanedioic acid IUPAC Name: 6,11-dioxo-3,3,14,14-tetraphenylhexadecanedioic acid Traditional Name: 6,11-diketo-3,3,14,14-tetraphenyl-thapsic acid Formula: C40H42O6 MolecularWeight: 618.75788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC(=O)CCCCC(=O)CCC(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3)(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCC(=O)CCCCC(=O)CCC(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3)(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C40H42O6/c41-35(25-27-39(29-37(43)44,31-15-5-1-6-16-31)32-17-7-2-8-18-32)23-13-14-24-36(42)26-28-40(30-38(45)46,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-12,15-22H,13-14,23-30H2,(H,43,44)(H,45,46)