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

Systemtic Name: hexakis(4-butoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-butoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-butoxyphenyl) ester IUPAC Name: hexakis(4-butoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-butoxyphenyl) ester Formula: C72H78O18 MolecularWeight: 1231.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCC)C(=O)OC4=CC=C(C=C4)OCCCC)C(=O)OC5=CC=C(C=C5)OCCCC)C(=O)OC6=CC=C(C=C6)OCCCC)C(=O)OC7=CC=C(C=C7)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCC)C(=O)OC4=CC=C(C=C4)OCCCC)C(=O)OC5=CC=C(C=C5)OCCCC)C(=O)OC6=CC=C(C=C6)OCCCC)C(=O)OC7=CC=C(C=C7)OCCCC

InChI

InChI=1S/C72H78O18/c1-7-13-43-79-49-19-31-55(32-20-49)85-67(73)61-62(68(74)86-56-33-21-50(22-34-56)80-44-14-8-2)64(70(76)88-58-37-25-52(26-38-58)82-46-16-10-4)66(72(78)90-60-41-29-54(30-42-60)84-48-18-12-6)65(71(77)89-59-39-27-53(28-40-59)83-47-17-11-5)63(61)69(75)87-57-35-23-51(24-36-57)81-45-15-9-3/h19-42H,7-18,43-48H2,1-6H3