hexakis(4-hexylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate

Systemtic Name: hexakis(4-hexylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-hexylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-hexylphenyl) ester IUPAC Name: hexakis(4-hexylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-hexylphenyl) ester Formula: C84H102O12 MolecularWeight: 1303.70148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCC

InChI

InChI=1S/C84H102O12/c1-7-13-19-25-31-61-37-49-67(50-38-61)91-79(85)73-74(80(86)92-68-51-39-62(40-52-68)32-26-20-14-8-2)76(82(88)94-70-55-43-64(44-56-70)34-28-22-16-10-4)78(84(90)96-72-59-47-66(48-60-72)36-30-24-18-12-6)77(83(89)95-71-57-45-65(46-58-71)35-29-23-17-11-5)75(73)81(87)93-69-53-41-63(42-54-69)33-27-21-15-9-3/h37-60H,7-36H2,1-6H3