4-[1,12-bis(4-acetyloxybutoxy)-9,10,11-trihexoxy-triphenylen-2-yl]oxybutyl ethanoate

Systemtic Name: 4-[1,12-bis(4-acetyloxybutoxy)-9,10,11-trihexoxy-triphenylen-2-yl]oxybutyl ethanoate Openeye Name: 4-[1,12-bis(4-acetoxybutoxy)-9,10,11-trihexoxy-triphenylen-2-yl]oxybutyl acetate CAS Name: acetic acid 4-[[1,12-bis(4-acetyloxybutoxy)-9,10,11-trihexoxy-2-triphenylenyl]oxy]butyl ester IUPAC Name: 4-[1,12-bis(4-acetyloxybutoxy)-9,10,11-trihexoxytriphenylen-2-yl]oxybutyl acetate Traditional Name: acetic acid 4-[1,12-bis(4-acetoxybutoxy)-9,10,11-trihexoxy-triphenylen-2-yl]oxybutyl ester Formula: C54H78O12 MolecularWeight: 919.18992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H78O12/c1-7-10-13-18-35-63-51-48-44-28-17-16-27-43(44)45-29-30-46(61-34-24-21-31-58-40(4)55)50(62-38-25-22-32-59-41(5)56)47(45)49(48)52(64-39-26-23-33-60-42(6)57)54(66-37-20-15-12-9-3)53(51)65-36-19-14-11-8-2/h16-17,27-30H,7-15,18-26,31-39H2,1-6H3