Name: CY5-YNE
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219649577
Cas No:1345823-20-2
常用名:CY5-YNE
别名:磺酸基-Cy5 炔烃, Sulfo-Cyanine5-alkyne
IUPAC:2-[5-(3,3-dimethyl-1-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
IUPAC:2-[5-(3,3-dimethyl-1-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
InChI key:InChIKey=SDCASIAEYVOHMO-UHFFFAOYSA-N

分子式:C36H43N3O7S2
分子量:693.87
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCC#C)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCC#C)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O

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