壬基酚亚甲基(38750-01-5)名称与标识符
名称
英文别名:
Nobilomethylene;(1R,8aα,9S)-1,4,5,5a,6,7,8,8a-Octahydro-5aα-methyl-6-methylene-9-isopropyl-1,4α-methano-2H-cyclopent[d]oxepine-2,5-dione;
标识符
InChIKey:
AFKMPTKEDFWMES-RSPOJEKHSA-N
Inchi:
1S/C15H20O3/c1-7(2)10-11-9-6-5-8(3)15(9,4)13(16)12(10)18-14(11)17/h7,9-12H,3,5-6H2,1-2,4H3/t9-,10-,11+,12+,15-/m0/s1
SMILES:
CC([C@@H]1[C@H]2OC([C@@H]1[C@H]1[C@@](C)(C2=O)C(=C)CC1)=O)C