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

Systemtic Name: hexakis(4-pentylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-pentylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-pentylphenyl) ester IUPAC Name: hexakis(4-pentylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-amylphenyl) ester Formula: C78H90O12 MolecularWeight: 1219.542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCC)C(=O)OC4=CC=C(C=C4)CCCCC)C(=O)OC5=CC=C(C=C5)CCCCC)C(=O)OC6=CC=C(C=C6)CCCCC)C(=O)OC7=CC=C(C=C7)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCC)C(=O)OC4=CC=C(C=C4)CCCCC)C(=O)OC5=CC=C(C=C5)CCCCC)C(=O)OC6=CC=C(C=C6)CCCCC)C(=O)OC7=CC=C(C=C7)CCCCC

InChI

InChI=1S/C78H90O12/c1-7-13-19-25-55-31-43-61(44-32-55)85-73(79)67-68(74(80)86-62-45-33-56(34-46-62)26-20-14-8-2)70(76(82)88-64-49-37-58(38-50-64)28-22-16-10-4)72(78(84)90-66-53-41-60(42-54-66)30-24-18-12-6)71(77(83)89-65-51-39-59(40-52-65)29-23-17-11-5)69(67)75(81)87-63-47-35-57(36-48-63)27-21-15-9-3/h31-54H,7-30H2,1-6H3