Chem
J-GLOBAL ID:200907044941951527
Nikkaji number:J819.598F
3,3'-Dihexyloxacarbocyanine
3,3′-ジヘキシルオキサカルボシアニン
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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:
C29 H37 N[N+]O2
Molecular formula furigana:
C29-H37-N2-O2
Molecular weight:
445.626
InChI:
InChI=1S/C29H37N2O2/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29/h9-12,15-19H,3-8,13-14,20,22-23H2,1-2H3/q+1
InChI key:
YKGVAWSGELNGAI-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(=C=CCc2oc3ccccc3[n+]2CCCCCC)oc2ccccc12
Systematic name (3):
2-[3-[(3-ヘキシル-2,3-ジヒドロベンゾオキサゾール)-2-イリデン]-2-プロペニル]-3-ヘキシルベンゾオキサゾール-3-イウム
3-ヘキシル-2-[3-(3-ヘキシル-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-イリデン)プロパ-2-エン-1-イル]-1,3-ベンゾオキサゾール-3-イウム
3-hexyl-2-[3-(3-hexyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)prop-2-en-1-yl]-1,3-benzoxazol-3-ium
Other name (3):
3,3′-ジヘキシルオキサカルボシアニン
3,3′-Dihexyloxacarbocyanine
2-[3-[(3-Hexyl-2,3-dihydrobenzoxazol)-2-ylidene]-2-propenyl]-3-hexylbenzoxazol-3-ium
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