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

Systemtic Name: hexakis(4-propoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-propoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-propoxyphenyl) ester IUPAC Name: hexakis(4-propoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-propoxyphenyl) ester Formula: C66H66O18 MolecularWeight: 1147.21944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCC)C(=O)OC4=CC=C(C=C4)OCCC)C(=O)OC5=CC=C(C=C5)OCCC)C(=O)OC6=CC=C(C=C6)OCCC)C(=O)OC7=CC=C(C=C7)OCCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCC)C(=O)OC4=CC=C(C=C4)OCCC)C(=O)OC5=CC=C(C=C5)OCCC)C(=O)OC6=CC=C(C=C6)OCCC)C(=O)OC7=CC=C(C=C7)OCCC

InChI

InChI=1S/C66H66O18/c1-7-37-73-43-13-25-49(26-14-43)79-61(67)55-56(62(68)80-50-27-15-44(16-28-50)74-38-8-2)58(64(70)82-52-31-19-46(20-32-52)76-40-10-4)60(66(72)84-54-35-23-48(24-36-54)78-42-12-6)59(65(71)83-53-33-21-47(22-34-53)77-41-11-5)57(55)63(69)81-51-29-17-45(18-30-51)75-39-9-3/h13-36H,7-12,37-42H2,1-6H3