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

Systemtic Name: hexakis(4-dodecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-dodecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-dodecoxyphenyl) ester IUPAC Name: hexakis(4-dodecoxyphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-lauryloxyphenyl) ester Formula: C120H174O18 MolecularWeight: 1904.65476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)OCCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)OCCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)OCCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)OCCCCCCCCCCCC

InChI

InChI=1S/C120H174O18/c1-7-13-19-25-31-37-43-49-55-61-91-127-97-67-79-103(80-68-97)133-115(121)109-110(116(122)134-104-81-69-98(70-82-104)128-92-62-56-50-44-38-32-26-20-14-8-2)112(118(124)136-106-85-73-100(74-86-106)130-94-64-58-52-46-40-34-28-22-16-10-4)114(120(126)138-108-89-77-102(78-90-108)132-96-66-60-54-48-42-36-30-24-18-12-6)113(119(125)137-107-87-75-101(76-88-107)131-95-65-59-53-47-41-35-29-23-17-11-5)111(109)117(123)135-105-83-71-99(72-84-105)129-93-63-57-51-45-39-33-27-21-15-9-3/h67-90H,7-66,91-96H2,1-6H3