7-[9,10,11-trihexoxy-1,12-bis(5-oxidanylidenehept-6-enoxy)triphenylen-2-yl]oxyhept-1-en-3-one

Systemtic Name: 7-[9,10,11-trihexoxy-1,12-bis(5-oxidanylidenehept-6-enoxy)triphenylen-2-yl]oxyhept-1-en-3-one Openeye Name: 7-[9,10,11-trihexoxy-1,12-bis(5-oxohept-6-enoxy)triphenylen-2-yl]oxyhept-1-en-3-one CAS Name: 7-[[9,10,11-trihexoxy-1,12-bis(5-oxohept-6-enoxy)-2-triphenylenyl]oxy]-1-hepten-3-one IUPAC Name: 7-[9,10,11-trihexoxy-1,12-bis(5-oxohept-6-enoxy)triphenylen-2-yl]oxyhept-1-en-3-one Traditional Name: 7-[9,10,11-trihexoxy-1,12-bis(5-ketohept-6-enoxy)triphenylen-2-yl]oxyhept-1-en-3-one Formula: C57H78O9 MolecularWeight: 907.22382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H78O9/c1-7-13-16-24-38-63-54-51-47-34-20-19-33-46(47)48-35-36-49(61-37-27-21-30-43(58)10-4)53(62-41-28-22-31-44(59)11-5)50(48)52(51)55(64-42-29-23-32-45(60)12-6)57(66-40-26-18-15-9-3)56(54)65-39-25-17-14-8-2/h10-12,19-20,33-36H,4-9,13-18,21-32,37-42H2,1-3H3