Name: 2-[7-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene)hepta-1,3,5-trien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
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HIT ID:HIT219649571
Cas No:
常用名:2-[7-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene)hepta-1,3,5-trien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
常用名:2-[7-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene)hepta-1,3,5-trien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate
IUPAC:2-[7-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
IUPAC:2-[7-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
InChI key:InChIKey=ROGODJHHEBREAB-UHFFFAOYSA-N

分子式:C39H45N3O10S2
分子量:779.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)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=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O

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