5-[9,10,11-trihexoxy-1,12-bis(3-oxidanylidenepent-4-enoxy)triphenylen-2-yl]oxypent-1-en-3-one

Systemtic Name: 5-[9,10,11-trihexoxy-1,12-bis(3-oxidanylidenepent-4-enoxy)triphenylen-2-yl]oxypent-1-en-3-one Openeye Name: 5-[9,10,11-trihexoxy-1,12-bis(3-oxopent-4-enoxy)triphenylen-2-yl]oxypent-1-en-3-one CAS Name: 5-[[9,10,11-trihexoxy-1,12-bis(3-oxopent-4-enoxy)-2-triphenylenyl]oxy]-1-penten-3-one IUPAC Name: 5-[9,10,11-trihexoxy-1,12-bis(3-oxopent-4-enoxy)triphenylen-2-yl]oxypent-1-en-3-one Traditional Name: 5-[9,10,11-trihexoxy-1,12-bis(3-ketopent-4-enoxy)triphenylen-2-yl]oxypent-1-en-3-one Formula: C51H66O9 MolecularWeight: 823.06434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C2=C1C3=CC=CC=C3C4=C2C(=C(C=C4)OCCC(=O)C=C)OCCC(=O)C=C)OCCC(=O)C=C)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C(=C(C2=C1C3=CC=CC=C3C4=C2C(=C(C=C4)OCCC(=O)C=C)OCCC(=O)C=C)OCCC(=O)C=C)OCCCCCC)OCCCCCC

InChI

InChI=1S/C51H66O9/c1-7-13-16-21-31-56-48-45-41-25-20-19-24-40(41)42-26-27-43(55-34-28-37(52)10-4)47(59-35-29-38(53)11-5)44(42)46(45)49(60-36-30-39(54)12-6)51(58-33-23-18-15-9-3)50(48)57-32-22-17-14-8-2/h10-12,19-20,24-27H,4-9,13-18,21-23,28-36H2,1-3H3