Chem
J-GLOBAL ID:200907041482216720
Nikkaji number:J786.162A
22 -(p-Tolylthio)phthalocyanine
22 -(p-トリルチオ)フタロシアニン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C39 H24 N8 S
Molecular formula furigana:
C39-H24-N8-S
Molecular weight:
636.740
InChI:
InChI=1S/C39H24N8S/c1-21-14-16-22(17-15-21)48-23-18-19-30-31(20-23)39-46-37-29-13-7-6-12-28(29)35(44-37)42-33-25-9-3-2-8-24(25)32(40-33)41-34-26-10-4-5-11-27(26)36(43-34)45-38(30)47-39/h2-20H,1H3,(H2,40,41,42,43,44,45,46,47)
InChI key:
FVRLWEHIQPDNDW-UHFFFAOYSA-N
SMILES:
Cc1ccc(Sc2ccc3c(c2)c2/N=C/4\N=C(/N=c/5\[nH]/c(=N\C6=N/C(=N\c3[nH]2)/c2ccccc62)/c2ccccc52)c2ccccc42)cc1
Systematic name (3):
22 -(p-トリルチオ)フタロシアニン
6-[(4-メチルフェニル)スルファニル]-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10 .112,19 .121,28 .04,9 .013,18 .022,27 .031,36 ]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
6-[(4-methylphenyl)sulfanyl]-2,11,20,29,37,38,39,40-octaazanonacyclo[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
Other name (1):
22 -(p-Tolylthio)phthalocyanine
Thsaurus map:
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