Chem
J-GLOBAL ID:200907014830409875
Nikkaji number:J676.167D
N744
3-(2-ヒドロキシエチル)-2-[2-[[3-(2-ヒドロキシエチル)-5-メトキシベンゾチアゾール-2-イリデン]メチル]-1-ブテニル]-5-メトキシベンゾチアゾール-3-イウム
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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:
C25 H29 N[N+]O4 S2
Molecular formula furigana:
C25-H29-N2-O4-S2
Molecular weight:
485.640
InChI:
InChI=1S/C25H29N2O4S2/c1-4-17(13-24-26(9-11-28)20-15-18(30-2)5-7-22(20)32-24)14-25-27(10-12-29)21-16-19(31-3)6-8-23(21)33-25/h5-8,13-16,28-29H,4,9-12H2,1-3H3/q+1
InChI key:
RRZNZHCNPLOAIX-UHFFFAOYSA-N
SMILES:
CCC(=Cc1sc2ccc(OC)cc2[n+]1CCO)C=c1sc2ccc(OC)cc2n1CCO
Systematic name (7):
3-(2-ヒドロキシエチル)-5-メトキシ-2-[2-[[3-(2-ヒドロキシエチル)-5-メトキシベンゾチアゾール-2(3H)-イリデン]メチル]-1-ブテニル]ベンゾチアゾール-3-イウム
2-[2-[[[3-(2-ヒドロキシエチル)-5-メトキシ-2,3-ジヒドロベンゾチアゾール]-2-イリデン]メチル]-1-ブテニル]-3-(2-ヒドロキシエチル)-5-メトキシベンゾチアゾール-3-イウム
2-[2-[3-(2-ヒドロキシエチル)-5-メトキシ-2,3-ジヒドロベンゾチアゾール-2-イリデンメチル]-1-ブテニル]-3-(2-ヒドロキシエチル)-5-メトキシベンゾチアゾール-3-イウム
2-[2-[[3-(2-ヒドロキシエチル)-5-メトキシベンゾチアゾール-2(3H)-イリデン]メチル]-1-ブテニル]-3-(2-ヒドロキシエチル)-5-メトキシベンゾチアゾール-3-イウム
3-(2-ヒドロキシエチル)-2-[2-[[3-(2-ヒドロキシエチル)-5-メトキシベンゾチアゾール-2-イリデン]メチル]-1-ブテニル]-5-メトキシベンゾチアゾール-3-イウム
3-(2-ヒドロキシエチル)-2-(2-{[3-(2-ヒドロキシエチル)-5-メトキシ-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン]メチル}ブタ-1-エン-1-イル)-5-メトキシ-1,3-ベンゾチアゾール-3-イウム
3-(2-hydroxyethyl)-2-(2-{[3-(2-hydroxyethyl)-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl)-5-methoxy-1,3-benzothiazol-3-ium
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Other name (6):
3-(2-Hydroxyethyl)-5-methoxy-2-[2-[[3-(2-hydroxyethyl)-5-methoxybenzothiazol-2(3H)-ylidene]methyl]-1-butenyl]benzothiazol-3-ium
2-[2-[[[3-(2-Hydroxyethyl)-5-methoxy-2,3-dihydrobenzothiazole]-2-ylidene]methyl]-1-butenyl]-3-(2-hydroxyethyl)-5-methoxybenzothiazole-3-ium
2-[2-[3-(2-Hydroxyethyl)-5-methoxy-2,3-dihydrobenzothiazole-2-ylidenemethyl]-1-butenyl]-3-(2-hydroxyethyl)-5-methoxybenzothiazole-3-ium
2-[2-[[3-(2-Hydroxyethyl)-5-methoxybenzothiazole-2(3H)-ylidene]methyl]-1-butenyl]-3-(2-hydroxyethyl)-5-methoxybenzothiazole-3-ium
3-(2-Hydroxyethyl)-2-[2-[[3-(2-hydroxyethyl)-5-methoxybenzothiazole-2-ylidene]methyl]-1-butenyl]-5-methoxybenzothiazole-3-ium
N744
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