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

Systemtic Name: hexakis(4-undecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-undecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-undecylphenyl) ester IUPAC Name: hexakis(4-undecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-undecylphenyl) ester Formula: C114H162O12 MolecularWeight: 1724.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCCC

InChI

InChI=1S/C114H162O12/c1-7-13-19-25-31-37-43-49-55-61-91-67-79-97(80-68-91)121-109(115)103-104(110(116)122-98-81-69-92(70-82-98)62-56-50-44-38-32-26-20-14-8-2)106(112(118)124-100-85-73-94(74-86-100)64-58-52-46-40-34-28-22-16-10-4)108(114(120)126-102-89-77-96(78-90-102)66-60-54-48-42-36-30-24-18-12-6)107(113(119)125-101-87-75-95(76-88-101)65-59-53-47-41-35-29-23-17-11-5)105(103)111(117)123-99-83-71-93(72-84-99)63-57-51-45-39-33-27-21-15-9-3/h67-90H,7-66H2,1-6H3