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

Systemtic Name: hexakis(4-dodecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-dodecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-dodecylphenyl) ester IUPAC Name: hexakis(4-dodecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-laurylphenyl) ester Formula: C120H174O12 MolecularWeight: 1808.65836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCCCC

InChI

InChI=1S/C120H174O12/c1-7-13-19-25-31-37-43-49-55-61-67-97-73-85-103(86-74-97)127-115(121)109-110(116(122)128-104-87-75-98(76-88-104)68-62-56-50-44-38-32-26-20-14-8-2)112(118(124)130-106-91-79-100(80-92-106)70-64-58-52-46-40-34-28-22-16-10-4)114(120(126)132-108-95-83-102(84-96-108)72-66-60-54-48-42-36-30-24-18-12-6)113(119(125)131-107-93-81-101(82-94-107)71-65-59-53-47-41-35-29-23-17-11-5)111(109)117(123)129-105-89-77-99(78-90-105)69-63-57-51-45-39-33-27-21-15-9-3/h73-96H,7-72H2,1-6H3