[3,11-bis(penta-1,3-diynoxy)-7,10-dipentoxy-6-(undecoxymethoxy)triphenylen-2-yl] ethanoate

Systemtic Name: [3,11-bis(penta-1,3-diynoxy)-7,10-dipentoxy-6-(undecoxymethoxy)triphenylen-2-yl] ethanoate Openeye Name: [3,11-bis(penta-1,3-diynoxy)-7,10-dipentoxy-6-(undecoxymethoxy)triphenylen-2-yl] acetate CAS Name: acetic acid [3,11-bis(penta-1,3-diynoxy)-7,10-dipentoxy-6-(undecoxymethoxy)-2-triphenylenyl] ester IUPAC Name: [3,11-bis(penta-1,3-diynoxy)-7,10-dipentoxy-6-(undecoxymethoxy)triphenylen-2-yl] acetate Traditional Name: acetic acid [7,10-diamoxy-3,11-bis(penta-1,3-diynoxy)-6-(undecoxymethoxy)triphenylen-2-yl] ester Formula: C52H62O8 MolecularWeight: 815.04388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOCOC1=C(C=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=C1)OC#CC#CC)OC(=O)C)OC#CC#CC)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCCCCCCCOCOC1=C(C=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=C1)OC#CC#CC)OC(=O)C)OC#CC#CC)OCCCCC)OCCCCC

InChI

InChI=1S/C52H62O8/c1-7-12-17-18-19-20-21-22-27-28-54-39-59-50-36-44-42(35-49(50)57-31-25-15-10-4)41-33-47(55-29-23-13-8-2)48(56-30-24-14-9-3)34-43(41)46-38-52(60-40(6)53)51(37-45(44)46)58-32-26-16-11-5/h33-38H,7-8,10,12-13,15,17-23,25,27-29,31,39H2,1-6H3