5-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypentyl 2-methylbutanoate

Systemtic Name: 5-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypentyl 2-methylbutanoate Openeye Name: 5-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypentyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 5-[(3,6,7,10,11-pentahexoxy-2-triphenylenyl)oxy]pentyl ester IUPAC Name: 5-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypentyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 5-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypentyl ester Formula: C58H90O8 MolecularWeight: 915.3304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCC)OCCCCCOC(=O)C(C)CC)OCCCCCC)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCC)OCCCCCOC(=O)C(C)CC)OCCCCCC)OCCCCCC)OCCCCCC

InChI

InChI=1S/C58H90O8/c1-8-14-19-25-32-60-52-39-46-47-40-53(61-33-26-20-15-9-2)55(63-35-28-22-17-11-4)42-49(47)51-44-57(65-37-30-24-31-38-66-58(59)45(7)13-6)56(64-36-29-23-18-12-5)43-50(51)48(46)41-54(52)62-34-27-21-16-10-3/h39-45H,8-38H2,1-7H3