Titanyl phthalocyanine
CAS Registry Number®
26201-32-1
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CAS Name
Titanyl phthalocyanineMolecular Formula
C32H16N8OTiCite this Page
Titanyl phthalocyanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=26201-32-1 (retrieved ) (CAS RN: 26201-32-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H16N8.O.Ti/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;;+2
InChIKey
InChIKey=SJHHDDDGXWOYOE-UHFFFAOYSA-N
SMILES
O=[Ti+2]123[N-]4C=5C=6C(C4=NC7=[N]1C(=NC=8[N-]2C(=C9C8C=CC=C9)N=C%10[N]3=C(N5)C=%11C%10=CC=CC%11)C=%12C7=CC=CC%12)=CC=CC6
Canonical SMILES
O=[Ti+2]123[N]4=C5N=C6C=7C=CC=CC7C(=NC=8C=9C=CC=CC9C(=NC%10=C%11C=CC=CC%11=C(N=C4C=%12C=CC=CC5%12)[N-]%101)[N]82)[N-]63
Other Names for this Substance
- Titanium, oxo[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-5-12)-
- Titanium, oxo[phthalocyaninato(2-)]-
- Titanium, oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-5-12)-
- 29H,31H-Phthalocyanine, titanium complex
- (SP-5-12)-Oxo[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]titanium