phenyl 2-[3-hexoxy-6,7,10,11-tetrakis(2-oxidanylidene-2-phenoxy-ethoxy)triphenylen-2-yl]oxyethanoate

Systemtic Name: phenyl 2-[3-hexoxy-6,7,10,11-tetrakis(2-oxidanylidene-2-phenoxy-ethoxy)triphenylen-2-yl]oxyethanoate Openeye Name: phenyl 2-[3-hexoxy-6,7,10,11-tetrakis(2-oxo-2-phenoxy-ethoxy)triphenylen-2-yl]oxyacetate CAS Name: 2-[[3-hexoxy-6,7,10,11-tetrakis(2-oxo-2-phenoxyethoxy)-2-triphenylenyl]oxy]acetic acid phenyl ester IUPAC Name: phenyl 2-[3-hexoxy-6,7,10,11-tetrakis(2-oxo-2-phenoxyethoxy)triphenylen-2-yl]oxyacetate Traditional Name: 2-[3-hexoxy-6,7,10,11-tetrakis(2-keto-2-phenoxy-ethoxy)triphenylen-2-yl]oxyacetic acid phenyl ester Formula: C64H54O16 MolecularWeight: 1079.10396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCC(=O)OC5=CC=CC=C5)OCC(=O)OC6=CC=CC=C6)OCC(=O)OC7=CC=CC=C7)OCC(=O)OC8=CC=CC=C8)OCC(=O)OC9=CC=CC=C9

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCC(=O)OC5=CC=CC=C5)OCC(=O)OC6=CC=CC=C6)OCC(=O)OC7=CC=CC=C7)OCC(=O)OC8=CC=CC=C8)OCC(=O)OC9=CC=CC=C9

InChI

InChI=1S/C64H54O16/c1-2-3-4-20-31-70-54-32-48-49(33-55(54)71-38-60(65)76-43-21-10-5-11-22-43)51-35-57(73-40-62(67)78-45-25-14-7-15-26-45)59(75-42-64(69)80-47-29-18-9-19-30-47)37-53(51)52-36-58(74-41-63(68)79-46-27-16-8-17-28-46)56(34-50(48)52)72-39-61(66)77-44-23-12-6-13-24-44/h5-19,21-30,32-37H,2-4,20,31,38-42H2,1H3