6-[9,10,11-trihexoxy-1,12-bis(5-oxidanylidenehexoxy)triphenylen-2-yl]oxyhexan-2-one

Systemtic Name: 6-[9,10,11-trihexoxy-1,12-bis(5-oxidanylidenehexoxy)triphenylen-2-yl]oxyhexan-2-one Openeye Name: 6-[9,10,11-trihexoxy-1,12-bis(5-oxohexoxy)triphenylen-2-yl]oxyhexan-2-one CAS Name: 6-[[9,10,11-trihexoxy-1,12-bis(5-oxohexoxy)-2-triphenylenyl]oxy]-2-hexanone IUPAC Name: 6-[9,10,11-trihexoxy-1,12-bis(5-oxohexoxy)triphenylen-2-yl]oxyhexan-2-one Traditional Name: 6-[9,10,11-trihexoxy-1,12-bis(5-ketohexoxy)triphenylen-2-yl]oxyhexan-2-one Formula: C54H78O9 MolecularWeight: 871.19172

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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)OCCCCC(=O)C)OCCCCC(=O)C)OCCCCCC)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C54H78O9/c1-7-10-13-21-35-60-51-48-44-31-17-16-30-43(44)45-32-33-46(58-34-24-18-27-40(4)55)50(59-38-25-19-28-41(5)56)47(45)49(48)52(61-39-26-20-29-42(6)57)54(63-37-23-15-12-9-3)53(51)62-36-22-14-11-8-2/h16-17,30-33H,7-15,18-29,34-39H2,1-6H3