Chem
J-GLOBAL ID：201707001399802520
Nikkaji number：J3.622.334K
21,24-Diethyl-22,23-(o-xylylenebisthio)-72,73,122,123,172,173-hexakis(2,6-dimethylphenoxy)phthalocyanine
21,24-ジエチル-22,23-(o-キシリレンビスチオ)-72,73,122,123,172,173-ヘキサキス(2,6-ジメチルフェノキシ)フタロシアニン
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
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
Molecular formula： C92H80N8O6S2
Molecular formula furigana： C92-H80-N8-O6-S2
Molecular weight： 1457.820
InChI：
InChI=1S/C92H80N8O6S2/c1-15-61-75-76(62(16-2)84-83(61)107-45-59-37-17-18-38-60(59)46-108-84)92-99-90-68-44-74(106-82-57(13)35-24-36-58(82)14)72(104-80-53(9)31-22-32-54(80)10)42-66(68)88(97-90)95-86-64-40-70(102-78-49(5)27-20-28-50(78)6)69(101-77-47(3)25-19-26-48(77)4)39-63(64)85(93-86)94-87-65-41-71(103-79-51(7)29-21-30-52(79)8)73(105-81-55(11)33-23-34-56(81)12)43-67(65)89(96-87)98-91(75)100-92/h17-44H,15-16,45-46H2,1-14H3,(H2,93,94,95,96,97,98,99,100)
InChI key：
SWDUWTGTXMTLSE-UHFFFAOYSA-N
SMILES：
CCc1c2SCc3ccccc3CSc2c(CC)c2c3/N=C/4\N=C(/N=c/5\[nH]/c(=N\C6=N/C(=N\c([nH]3)c12)/c1cc(Oc2c(C)cccc2C)c(Oc2c(C)cccc2C)cc61)/c1cc(Oc2c(C)cccc2C)c(Oc2c(C)cccc2C)cc51)c1cc(Oc2c(C)cccc2C)c(Oc2c(C)cccc2C)cc41
Systematic name (3)：
- 21,24-ジエチル-22,23-(o-キシリレンビスチオ)-72,73,122,123,172,173-ヘキサキス(2,6-ジメチルフェノキシ)フタロシアニン
- 6,7,15,16,24,25-ヘキサキス(2,6-ジメチルフェノキシ)-32,45-ジエチル-34,43-ジチア-2,11,20,29,47,48,49,50-オクタアザウンデカシクロ[28.16.1.13,10.112,19.121,28.04,9.013,18.022,27.031,46.033,44.036,41]ペンタコンタ-1(46),2,4,6,8,10(50),11,13,15,17,19,21(48),22,24,26,28,30,32,36,38,40,44-ドコサエン
- 6,7,15,16,24,25-hexakis(2,6-dimethylphenoxy)-32,45-diethyl-34,43-dithia-2,11,20,29,47,48,49,50-octaazaundecacyclo[28.16.1.13,10.112,19.121,28.04,9.013,18.022,27.031,46.033,44.036,41]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21(48),22,24,26,28,30,32,36,38,40,44-docosaene
- 21,24-Diethyl-22,23-(o-xylylenebisthio)-72,73,122,123,172,173-hexakis(2,6-dimethylphenoxy)phthalocyanine
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