Solven
HIT212718300
sdf文件结构编辑类似物检索
HIT ID: HIT212718300
Cas No: 8059-64-1
分子式: C34H45NaO11S
分子量: 684.77
常用名: Solven
氢键受体数 (HBA): 5
氢键供体数 (HBD): 0
LogP: 5.2380733
IUPAC: sodium 1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate
IUPAC: sodium 1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate
SMILES: [Na+].Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12.CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
SMILES: [Na+].Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12.CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
InChI key: CMXPERZAMAQXSF-UHFFFAOYSA-M
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