[7-(4-methylphenyl)-10,10-dioctyl-9H-phenanthren-2-yl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate

Systemtic Name: [7-(4-methylphenyl)-10,10-dioctyl-9H-phenanthren-2-yl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate Openeye Name: [10,10-dioctyl-7-(p-tolyl)-9H-phenanthren-2-yl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate CAS Name: 4-[6-(2-methyl-1-oxoprop-2-enoxy)hexoxy]benzoic acid [7-(4-methylphenyl)-10,10-dioctyl-9H-phenanthren-2-yl] ester IUPAC Name: [7-(4-methylphenyl)-10,10-dioctyl-9H-phenanthren-2-yl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate Traditional Name: 4-(6-methacryloyloxyhexoxy)benzoic acid [10,10-dioctyl-7-(p-tolyl)-9H-phenanthren-2-yl] ester Formula: C54H70O5 MolecularWeight: 799.1306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CC2=C(C=CC(=C2)C3=CC=C(C=C3)C)C4=C1C=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCCCCOC(=O)C(=C)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(CC2=C(C=CC(=C2)C3=CC=C(C=C3)C)C4=C1C=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCCCCOC(=O)C(=C)C)CCCCCCCC

InChI

InChI=1S/C54H70O5/c1-6-8-10-12-14-18-34-54(35-19-15-13-11-9-7-2)40-46-38-45(43-24-22-42(5)23-25-43)28-32-49(46)50-33-31-48(39-51(50)54)59-53(56)44-26-29-47(30-27-44)57-36-20-16-17-21-37-58-52(55)41(3)4/h22-33,38-39H,3,6-21,34-37,40H2,1-2,4-5H3