4-[9,10,11-trihexoxy-1,12-bis(4-oxidanylbutoxy)triphenylen-2-yl]oxybutan-1-ol

Systemtic Name: 4-[9,10,11-trihexoxy-1,12-bis(4-oxidanylbutoxy)triphenylen-2-yl]oxybutan-1-ol Openeye Name: 4-[9,10,11-trihexoxy-1,12-bis(4-hydroxybutoxy)triphenylen-2-yl]oxybutan-1-ol CAS Name: 4-[[9,10,11-trihexoxy-1,12-bis(4-hydroxybutoxy)-2-triphenylenyl]oxy]-1-butanol IUPAC Name: 4-[9,10,11-trihexoxy-1,12-bis(4-hydroxybutoxy)triphenylen-2-yl]oxybutan-1-ol Traditional Name: 4-[9,10,11-trihexoxy-1,12-bis(4-hydroxybutoxy)triphenylen-2-yl]oxybutan-1-ol Formula: C48H72O9 MolecularWeight: 793.07988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H72O9/c1-4-7-10-18-32-54-45-42-38-25-14-13-24-37(38)39-26-27-40(52-31-21-15-28-49)44(53-35-22-16-29-50)41(39)43(42)46(55-36-23-17-30-51)48(57-34-20-12-9-6-3)47(45)56-33-19-11-8-5-2/h13-14,24-27,49-51H,4-12,15-23,28-36H2,1-3H3