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

Systemtic Name: hexakis(4-butylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-butylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-butylphenyl) ester IUPAC Name: hexakis(4-butylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-butylphenyl) ester Formula: C72H78O12 MolecularWeight: 1135.38252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCC)C(=O)OC4=CC=C(C=C4)CCCC)C(=O)OC5=CC=C(C=C5)CCCC)C(=O)OC6=CC=C(C=C6)CCCC)C(=O)OC7=CC=C(C=C7)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCC)C(=O)OC4=CC=C(C=C4)CCCC)C(=O)OC5=CC=C(C=C5)CCCC)C(=O)OC6=CC=C(C=C6)CCCC)C(=O)OC7=CC=C(C=C7)CCCC

InChI

InChI=1S/C72H78O12/c1-7-13-19-49-25-37-55(38-26-49)79-67(73)61-62(68(74)80-56-39-27-50(28-40-56)20-14-8-2)64(70(76)82-58-43-31-52(32-44-58)22-16-10-4)66(72(78)84-60-47-35-54(36-48-60)24-18-12-6)65(71(77)83-59-45-33-53(34-46-59)23-17-11-5)63(61)69(75)81-57-41-29-51(30-42-57)21-15-9-3/h25-48H,7-24H2,1-6H3