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

Systemtic Name: hexakis(4-pentoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-pentoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-pentoxyphenyl) ester IUPAC Name: hexakis(4-pentoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-amoxyphenyl) ester Formula: C78H90O18 MolecularWeight: 1315.5384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCC

InChI

InChI=1S/C78H90O18/c1-7-13-19-49-85-55-25-37-61(38-26-55)91-73(79)67-68(74(80)92-62-39-27-56(28-40-62)86-50-20-14-8-2)70(76(82)94-64-43-31-58(32-44-64)88-52-22-16-10-4)72(78(84)96-66-47-35-60(36-48-66)90-54-24-18-12-6)71(77(83)95-65-45-33-59(34-46-65)89-53-23-17-11-5)69(67)75(81)93-63-41-29-57(30-42-63)87-51-21-15-9-3/h25-48H,7-24,49-54H2,1-6H3