BENZENESULFONIC ACID, 4-METHYL-, (3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-YLIDENE)HYDRAZIDE

CAS号
55105-93-6
CCD编号
CCD06667479
分子式
C25 H30 N2 O3 S
分子量
438.589

基本信息

产品名称: BENZENESULFONIC ACID, 4-METHYL-, (3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-YLIDENE)HYDRAZIDE
CAS: 55105-93-6
英文同义词: BENZENESULFONIC ACID, 4-METHYL-, (3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-YLIDENE)HYDRAZIDE
MDL号: MFCD21608612
氢键受体数量: 5
氢键供体数量: 2
Smile: Cc1ccc(cc1)S(=O)(=O)N/N=C/2\CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C
InChi: InChI=1S/C25H30N2O3S/c1-16-3-7-19(8-4-16)31(29,30)27-26-24-12-11-23-22-9-5-17-15-18(28)6-10-20(17)21(22)13-14-25(23,24)2/h3-4,6-8,10,15,21-23,27-28H,5,9,11-14H2,1-2H3/b26-24+/t21-,22-,23+,25+/m1/s1
InChiKey: InChIKey=NQNGZVUKAFQWRI-FRRRGAAISA-N

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