八氢-1H-吲哚-2-羧酸苯甲酯, 4-甲基苯磺酸盐 (1:1)(82717-91-7)名称与标识符
名称
中文别名:
八氢-1H-吲哚-2-羧酸苯甲酯, 4-甲基苯磺酸盐 (1:1);苄基八氢-1H-吲哚-2-羧酸4-甲基苯磺酸酯;
英文别名:
1H-indole-2-carboxylic acid, octahydro-, phenylmethyl ester, 4-methylbenzenesulfonate (1:1);benzyl-perhydroindole-2-carboxylate PTSA;SCHEMBL3930177;Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate;PTLASYHTXGUCJU-UHFFFAOYSA-N;Benzyloctahydro-1H-indole-2-carboxylate4-methylbenzenesulfonate;CS-M1892;82717-91-7;CS-14514;AKOS015896053;
标识符
InChIKey:
PTLASYHTXGUCJU-UHFFFAOYSA-N
Inchi:
1S/C16H21NO2.C7H8O3S/c18-16(19-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)17-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,13-15,17H,4-5,8-11H2;2-5H,1H3,(H,8,9,10)
SMILES:
S(C1C=CC(C)=CC=1)(=O)(=O)O.O(CC1C=CC=CC=1)C(C1CC2CCCCC2N1)=O