HIT ID: HIT212697511
Cas No: 15382-85-1
分子式: C20H29NO6S
分子量: 411.51
常用名: m-Anisidine, 4-((5-(benzyloxy)pentyl)oxy)-, methanesulfonate
常用名: m-Anisidine, 4-((5-(benzyloxy)pentyl)oxy)-, methanesulfonate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 3.528366
IUPAC: 4-{[5-(benzyloxy)pentyl]oxy}-3-methoxyaniline; methanesulfonic acid
IUPAC: 4-{[5-(benzyloxy)pentyl]oxy}-3-methoxyaniline; methanesulfonic acid
SMILES: CS(O)(=O)=O.COc1cc(N)ccc1OCCCCCOCc1ccccc1
SMILES: CS(O)(=O)=O.COc1cc(N)ccc1OCCCCCOCc1ccccc1
InChI key: LXSSZWXGUWVFKK-UHFFFAOYSA-N