Sulfo Cy5 bis COOH
HIT219250643
sdf文件结构编辑类似物检索
HIT ID: HIT219250643
Cas No:
分子式: C35H41N2NaO10S2
分子量: 736.83
常用名: Sulfo Cy5 bis COOH
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 5-carboxy-2-[(1E,3E)-5-[(2E)-5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium
IUPAC: sodium 5-carboxy-2-[(1E,3E)-5-[(2E)-5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium
SMILES: [Na+].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)C(O)=O)N(CCCCS([O-])(=O)=O)c2ccc(cc12)C(O)=O
SMILES: [Na+].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)C(O)=O)N(CCCCS([O-])(=O)=O)c2ccc(cc12)C(O)=O
InChI key: OJQANVUDPXRAJD-UHFFFAOYSA-M
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