Leucottetraoxy MID
HIT212716871
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HIT ID: HIT212716871
Cas No: 128-90-5
分子式: C14H6N2O14S2
分子量: 490.32
常用名: Leucottetraoxy MID
氢键受体数 (HBA): 14
氢键供体数 (HBD): 4
LogP: 3.1533573
IUPAC: 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonic acid
IUPAC: 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonic acid
SMILES: Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(O)(=O)=O)[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O
SMILES: Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(O)(=O)=O)[N+]([O-])=O)[N+]([O-])=O)S(O)(=O)=O
InChI key: JJRLFGKLVBSIQX-UHFFFAOYSA-N
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