Chem
J-GLOBAL ID:200907097291832460
Nikkaji number:J1.593.131K
(2E,4E,6E,8E)-1-[3,8-Dimethyl-5-isopropylazulene-1-yl]-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetrene-1-ylium
(2E,4E,6E,8E)-1-[3,8-ジメチル-5-イソプロピルアズレン-1-イル]-3,7-ジメチル-9-(2,6,6-トリメチル-1-シクロヘキセニル)-2,4,6,8-ノナテトラエン-1-イリウム
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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:
C34 [C+]H45
Molecular formula furigana:
C35-H45
Molecular weight:
465.744
InChI:
InChI=1S/C35H45/c1-24(2)30-19-17-28(6)34-31(22-29(7)32(34)23-30)18-15-25(3)12-10-13-26(4)16-20-33-27(5)14-11-21-35(33,8)9/h10,12-13,15-20,22-24H,11,14,21H2,1-9H3/q+1/b12-10+,20-16+,25-15+,26-13+
InChI key:
SAUAWVHJGLNVDJ-FHLPPCTCSA-N
SMILES:
CC(C)c1ccc(C)c2c([CH+]/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(C)CCCC3(C)C)cc(C)c2c1
Systematic name (4):
(2E,4E,6E,8E)-1-[3,8-ジメチル-5-イソプロピルアズレン-1-イル]-3,7-ジメチル-9-(2,6,6-トリメチル-1-シクロヘキセニル)-2,4,6,8-ノナテトラエン-1-イリウム
(2E,4E,6E,8E)-1-(1,4-ジメチル-7-イソプロピルアズレン-3-イル)-3,7-ジメチル-9-(2,6,6-トリメチルシクロヘキセン-1-イル)-2,4,6,8-ノナテトラエン-1-イリウム
(2E,4E,6E,8E)-1-[3,8-ジメチル-5-(プロパン-2-イル)アズレン-1-イル]-3,7-ジメチル-9-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ノナ-2,4,6,8-テトラエン-1-イリウム
(2E,4E,6E,8E)-1-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ylium
Other name (2):
(2E,4E,6E,8E)-1-[3,8-Dimethyl-5-isopropylazulene-1-yl]-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetrene-1-ylium
(2E,4E,6E,8E)-1-(1,4-Dimethyl-7-isopropylazulene-3-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexene-1-yl)-2,4,6,8-nonatetrene-1-ylium
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