BENZENEETHANAMINE, 2,5-DIMETHOXY-4-(HEPTYLTHIO)-N-METHYL-, (Z)-2-BUTEN EDIOATE (1:1)

CAS号
129658-31-7
CCD编号
CCD00235397
分子式
C18 H31 N O2 S . C4 H4 O4
分子量
441.586

基本信息

产品名称: BENZENEETHANAMINE, 2,5-DIMETHOXY-4-(HEPTYLTHIO)-N-METHYL-, (Z)-2-BUTEN EDIOATE (1:1)
CAS: 129658-31-7
英文同义词: BENZENEETHANAMINE, 2,5-DIMETHOXY-4-(HEPTYLTHIO)-N-METHYL-, (Z)-2-BUTEN EDIOATE (1:1)
MDL号: MFCD01657099
氢键受体数量: 3
氢键供体数量: 1
Smile: CCCCCCCSc1cc(c(cc1OC)CCNC)OC.C(=C\C(=O)O)\C(=O)O
InChi: InChI=1S/C18H31NO2S.C4H4O4/c1-5-6-7-8-9-12-22-18-14-16(20-3)15(10-11-19-2)13-17(18)21-4;5-3(6)1-2-4(7)8/h13-14,19H,5-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChiKey: InChIKey=IGGYDCCELBGULX-BTJKTKAUSA-N

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