Sulfo-Cy7 carboxylic acid
HIT218848967
sdf文件结构编辑类似物检索
HIT ID: HIT218848967
Cas No: 1251915-04-4
分子式: C34H40N2O8S2
分子量: 668.82
常用名: Sulfo-Cy7 carboxylic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{7-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
IUPAC: 2-{7-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
SMILES: C[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(O)=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
SMILES: C[N+]1=C(C=CC=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: BUJQQICVGXKLAD-UHFFFAOYSA-N
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