62817 -OEChem-03282407382D 32 31 0 1 0 0 0 0 0999 V2000 7.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3441 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 32 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 M END > 62817 > 1 > 152 > 2 > 1 > 5 > AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADwCAgAACCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyFAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-ethyl-2,5-dimethyl-hexanoic acid > 2-ethyl-2,5-dimethylhexanoic acid > 2-ethyl-2,5-dimethylhexanoic acid > 2-ethyl-2,5-dimethylhexanoic acid > 2-ethyl-2,5-dimethyl-hexanoic acid > 2-ethyl-2,5-dimethyl-hexanoic acid > InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12) > PKJSRUTWBDIWAR-UHFFFAOYSA-N > 3.2 > 172.146329876 > C10H20O2 > 172.26 > CCC(C)(CCC(C)C)C(=O)O > CCC(C)(CCC(C)C)C(=O)O > 37.3 > 172.146329876 > 0 > 12 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 8 3 $$$$