2,15-bis(bromanyl)-3,3,14,14-tetraphenyl-hexadecanedioic acid

Systemtic Name: 2,15-bis(bromanyl)-3,3,14,14-tetraphenyl-hexadecanedioic acid Openeye Name: 2,15-dibromo-3,3,14,14-tetraphenyl-hexadecanedioic acid CAS Name: 2,15-dibromo-3,3,14,14-tetraphenylhexadecanedioic acid IUPAC Name: 2,15-dibromo-3,3,14,14-tetraphenylhexadecanedioic acid Traditional Name: 2,15-dibromo-3,3,14,14-tetraphenyl-thapsic acid Formula: C40H44Br2O4 MolecularWeight: 748.58296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H44Br2O4/c41-35(37(43)44)39(31-21-11-7-12-22-31,32-23-13-8-14-24-32)29-19-5-3-1-2-4-6-20-30-40(36(42)38(45)46,33-25-15-9-16-26-33)34-27-17-10-18-28-34/h7-18,21-28,35-36H,1-6,19-20,29-30H2,(H,43,44)(H,45,46)