CY5
HIT217905147
sdf文件结构编辑类似物检索
HIT ID: HIT217905147
Cas No: 146368-11-8
分子式: C33H40N2O8S2
分子量: 656.81
常用名: CY5
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{5-[1-(5-carboxypentyl)-3,3-dimethyl-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-[1-(5-carboxypentyl)-3,3-dimethyl-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
SMILES: CC[N+]1=C(C=CC=CC=C2N(CCCCCC(O)=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=C2N(CCCCCC(O)=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
InChI key: HPICMEGAGMPYID-UHFFFAOYSA-N
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