CAS 116453-73-7 1,4,8,11,15,18,22,25-Octabutoxy-phthalocyanine

NAVIGATION

1,4,8,11,15,18,22,25-Octabutoxy-phthalocyanine

PRICE INQUIRY

Catalog Number

ACM116453737

CAS Number

116453-73-7

Product Name

1,4,8,11,15,18,22,25-Octabutoxy-phthalocyanine

Structure

Category

Other Materials

Synonyms

1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE;1 4 8 11 15 18 22 25-OCTABUTOXY-29H 31H&;1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine;1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine;1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine Dye con

IUPAC Name

5,8,14,17,23,26,32,35-octabutoxy-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

1091.4g/mol

Molecular Formula

C64H82N8O8

Canonical SMILES

CCCCOC1=C2C(=C(C=C1)OCCCC)C3=NC4=NC(=NC5=C6C(=CC=C(C6=C(N5)N=C7C8=C(C=CC(=C8C(=N7)N=C2N3)OCCCC)OCCCC)OCCCC)OCCCC)C9=C(C=CC(=C94)OCCCC)OCCCC

InChI

InChI=1S/C64H82N8O8/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57/h25-32H,9-24,33-40H2,1-8H3,(H2,65,66,67,68,69,70,71,72)

InChI Key

KAPOSTKECKHKAP-UHFFFAOYSA-N

Complexity

1500

Covalently-Bonded Unit Count

Exact Mass

1090.625562g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine;H2Pc(OBu)8

Monoisotopic Mass