6,13-bis[bis(3,4-didodecoxyphenyl)methylidene]-2-bromanyl-pentacene

Systemtic Name: 6,13-bis[bis(3,4-didodecoxyphenyl)methylidene]-2-bromanyl-pentacene Openeye Name: 6,13-bis[bis(3,4-didodecoxyphenyl)methylene]-2-bromo-pentacene CAS Name: 6,13-bis[bis(3,4-didodecoxyphenyl)methylidene]-2-bromopentacene IUPAC Name: 6,13-bis[bis(3,4-didodecoxyphenyl)methylidene]-2-bromopentacene Traditional Name: 6,13-bis[bis(3,4-dilauryloxyphenyl)methylene]-2-bromo-pentacene Formula: C144H223BrO8 MolecularWeight: 2162.21062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=C2C3=CC4=CC=CC=C4C=C3C(=C(C5=CC(=C(C=C5)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C6=CC(=C(C=C6)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C7=C2C=C8C=CC(=CC8=C7)Br)C9=CC(=C(C=C9)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=C2C3=CC4=CC=CC=C4C=C3C(=C(C5=CC(=C(C=C5)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C6=CC(=C(C=C6)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C7=C2C=C8C=CC(=CC8=C7)Br)C9=CC(=C(C=C9)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

InChI

InChI=1S/C144H223BrO8/c1-9-17-25-33-41-49-57-65-73-83-103-146-133-99-94-123(116-137(133)150-107-87-77-69-61-53-45-37-29-21-13-5)141(124-95-100-134(147-104-84-74-66-58-50-42-34-26-18-10-2)138(117-124)151-108-88-78-70-62-54-46-38-30-22-14-6)143-129-112-120-91-81-82-92-121(120)113-130(129)144(132-115-127-111-128(145)98-93-122(127)114-131(132)143)142(125-96-101-135(148-105-85-75-67-59-51-43-35-27-19-11-3)139(118-125)152-109-89-79-71-63-55-47-39-31-23-15-7)126-97-102-136(149-106-86-76-68-60-52-44-36-28-20-12-4)140(119-126)153-110-90-80-72-64-56-48-40-32-24-16-8/h81-82,91-102,111-119H,9-80,83-90,103-110H2,1-8H3