CAS 1201915-91-4 YD2, 97% - Materials / Alfa Chemistry

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YD2, 97%

PRICE INQUIRY

Catalog Number

ACM1201915914

Product Name

YD2, 97%

Structure

CAS

1201915-91-4

Category

Other Glass and Ceramic Materials

IUPAC Name

zinc;4-[2-[10,20-bis(3,5-ditert-butylphenyl)-15-(4-hexyl-N-(4-hexylphenyl)anilino)porphyrin-22,24-diid-5-yl]ethynyl]benzoic acid

Molecular Weight

1230g/mol

Molecular Formula

C81H89N5O2Zn

Canonical SMILES

CCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCC)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C6)C#CC9=CC=C(C=C9)C(=O)O)[N-]5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C81H90N5O2.Zn/c1-15-17-19-21-23-53-27-34-63(35-28-53)86(64-36-29-54(30-37-64)24-22-20-18-16-2)76-72-45-43-70(84-72)74(57-47-59(78(3,4)5)51-60(48-57)79(6,7)8)68-41-39-66(82-68)65(38-31-55-25-32-56(33-26-55)77(87)88)67-40-42-69(83-67)75(71-44-46-73(76)85-71)58-49-61(80(9,10)11)52-62(50-58)81(12,13)14;/h25-30,32-37,39-52H,15-24H2,1-14H3,(H2-,82,83,84,85,87,88);/q-1;+2/p-1

InChI Key

UUCNKZFNPQUPQT-UHFFFAOYSA-M

Complexity

2040

Covalently-Bonded Unit Count

Exact Mass

1227.630769g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1227.630769g/mol

Rotatable Bond Count