hexadecyl 3,5-ditert-butyl-4-[2,3,4-tris(2,6-ditert-butyl-4-hexadecoxycarbonyl-phenyl)biphenylen-1-yl]benzoate

Systemtic Name: hexadecyl 3,5-ditert-butyl-4-[2,3,4-tris(2,6-ditert-butyl-4-hexadecoxycarbonyl-phenyl)biphenylen-1-yl]benzoate Openeye Name: hexadecyl 3,5-ditert-butyl-4-[2,3,4-tris(2,6-ditert-butyl-4-hexadecoxycarbonyl-phenyl)biphenylen-1-yl]benzoate CAS Name: 3,5-ditert-butyl-4-[2,3,4-tris[2,6-ditert-butyl-4-[hexadecoxy(oxo)methyl]phenyl]-1-biphenylenyl]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 3,5-ditert-butyl-4-[2,3,4-tris(2,6-ditert-butyl-4-hexadecoxycarbonylphenyl)biphenylen-1-yl]benzoate Traditional Name: 3,5-ditert-butyl-4-[2,3,4-tris(2,6-ditert-butyl-4-cetyloxycarbonyl-phenyl)biphenylen-1-yl]benzoic acid cetyl ester Formula: C136H216O8 MolecularWeight: 1979.16544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=C(C=C(C=C5C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC)C(C)(C)C)C6=C(C=C(C=C6C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC)C(C)(C)C)C7=C(C=C(C=C7C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=C(C=C(C=C5C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC)C(C)(C)C)C6=C(C=C(C=C6C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC)C(C)(C)C)C7=C(C=C(C=C7C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C136H216O8/c1-29-33-37-41-45-49-53-57-61-65-69-73-77-83-89-141-125(137)101-93-107(129(5,6)7)117(108(94-101)130(8,9)10)121-115-105-87-81-82-88-106(105)116(115)122(118-109(131(11,12)13)95-102(96-110(118)132(14,15)16)126(138)142-90-84-78-74-70-66-62-58-54-50-46-42-38-34-30-2)124(120-113(135(23,24)25)99-104(100-114(120)136(26,27)28)128(140)144-92-86-80-76-72-68-64-60-56-52-48-44-40-36-32-4)123(121)119-111(133(17,18)19)97-103(98-112(119)134(20,21)22)127(139)143-91-85-79-75-71-67-63-59-55-51-47-43-39-35-31-3/h81-82,87-88,93-100H,29-80,83-86,89-92H2,1-28H3