Sulfo Cy7 bis-SH
HIT219250598
sdf文件结构编辑类似物检索
HIT ID: HIT219250598
Cas No:
分子式: C40H51N4NaO8S4
分子量: 867.1
常用名: Sulfo Cy7 bis-SH
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 2-[(1E,3E,5E)-7-[(2E)-3,3-dimethyl-5-[(2-sulfanylethyl)carbamoyl]-1-(4-sulfonatobutyl)-2,3-dihydro-1H-indol-2-ylidene]hepta-1,3,5-trien-1-yl]-3-methyl-5-[(2-sulfanylethyl)carbamoyl]-1-(4-sulfonatobutyl)-3H-indol-1-ium
IUPAC: sodium 2-[(1E,3E,5E)-7-[(2E)-3,3-dimethyl-5-[(2-sulfanylethyl)carbamoyl]-1-(4-sulfonatobutyl)-2,3-dihydro-1H-indol-2-ylidene]hepta-1,3,5-trien-1-yl]-3-methyl-5-[(2-sulfanylethyl)carbamoyl]-1-(4-sulfonatobutyl)-3H-indol-1-ium
SMILES: [Na+].CC1C(\C=C\C=C\C=C\C=C2\N(CCCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)C(=O)NCCS)=[N+](CCCCS([O-])(=O)=O)c2ccc(cc12)C(=O)NCCS
SMILES: [Na+].CC1C(\C=C\C=C\C=C\C=C2\N(CCCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)C(=O)NCCS)=[N+](CCCCS([O-])(=O)=O)c2ccc(cc12)C(=O)NCCS
InChI key: HXJSGTFXSRKHLT-UHFFFAOYSA-M
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