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

Systemtic Name: hexakis(4-hexoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-hexoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-hexoxyphenyl) ester IUPAC Name: hexakis(4-hexoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-hexoxyphenyl) ester Formula: C84H102O18 MolecularWeight: 1399.69788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCC

InChI

InChI=1S/C84H102O18/c1-7-13-19-25-55-91-61-31-43-67(44-32-61)97-79(85)73-74(80(86)98-68-45-33-62(34-46-68)92-56-26-20-14-8-2)76(82(88)100-70-49-37-64(38-50-70)94-58-28-22-16-10-4)78(84(90)102-72-53-41-66(42-54-72)96-60-30-24-18-12-6)77(83(89)101-71-51-39-65(40-52-71)95-59-29-23-17-11-5)75(73)81(87)99-69-47-35-63(36-48-69)93-57-27-21-15-9-3/h31-54H,7-30,55-60H2,1-6H3