扑热息痛 hexamidine diparaben 93841-83-9

扑热息痛 hexamidine diparaben

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iupac名称 IUPAC Name :4- [6-（4-氨基甲酰基苯氧基）己氧基]苯甲酰亚胺; 4-羟基苯甲酸 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;4-hydroxybenzoic acid

INCHI InChI :INCHI InChI=1/C20H26N4O2.2C7H6O3/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*8-6-3-1-5(2-4-6)7(9)10/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*1-4,8H,(H,9,10)

印地 Std.InChI: INCHI InChI=1S/C20H26N4O2.2C7H6O3/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*8-6-3-1-5(2-4-6)7(9)10/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*1-4,8H,(H,9,10)

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INCHI基 InChIKey :XJJROVKTVSNUOG-UHFFFAOYAP

标准奇奇 Std.InChIKey: XJJROVKTVSNUOG-UHFFFAOYSA-N

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微笑 SMILES :C1=CC(=CC=C1C(= o =O)O)O.C1=CC(=CC=C1C(= o =O)O)O.C1=CC(=CC=C1C(= n =N)N)OCCCCCCOC2=CC=C(C=C2)C(= n =N)N