CAS 119457-81-7 2,3,9,10,16,17,23,24-Octakis(octyloxy)-29H,31H-phthalocyanine,

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Printed Electronic Materials

2,3,9,10,16,17,23,24-Octakis(octyloxy)-29H,31H-phthalocyanine,

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Catalog Number

ACM119457817-1

Product Name

2,3,9,10,16,17,23,24-Octakis(octyloxy)-29H,31H-phthalocyanine,

Structure

CAS

119457-81-7

Category

Printed Electronic Materials

IUPAC Name

6,7,15,16,24,25,33,34-octaoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Molecular Weight

1540.2g/mol

Molecular Formula

C96H146N8O8

Canonical SMILES

CCCCCCCCOC1=CC2=C3NC(=C2C=C1OCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=NC8=NC(=N3)C9=CC(=C(C=C98)OCCCCCCCC)OCCCCCCCC)N6)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C96H146N8O8/c1-9-17-25-33-41-49-57-105-81-65-73-74(66-82(81)106-58-50-42-34-26-18-10-2)90-97-89(73)101-91-75-67-83(107-59-51-43-35-27-19-11-3)84(108-60-52-44-36-28-20-12-4)68-76(75)93(98-91)103-95-79-71-87(111-63-55-47-39-31-23-15-7)88(112-64-56-48-40-32-24-16-8)72-80(79)96(100-95)104-94-78-70-86(110-62-54-46-38-30-22-14-6)85(69-77(78)92(99-94)102-90)109-61-53-45-37-29-21-13-5/h65-72H,9-64H2,1-8H3,(H2,97,98,99,100,101,102,103,104)

InChI Key

URYRXSHEJQXAAO-UHFFFAOYSA-N

Complexity

1990

Covalently-Bonded Unit Count

Exact Mass

1540.129719g/mol

Formal Charge

Heavy Atom Count

112

Monoisotopic Mass

1539.126364g/mol