Mrv1652309082221182D 13 12 0 0 0 0 999 V2000 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > NP0272628 > NP-MRD > CCC(C)SSC\C=C\OS(C)=O > InChI=1S/C8H16O2S3/c1-4-8(2)12-11-7-5-6-10-13(3)9/h5-6,8H,4,7H2,1-3H3/b6-5+ > OQCBJFYTNWYVQJ-AATRIKPKSA-N > C8H16O2S3 > 240.39 > 240.031243277 > 1 > 29 > 25.817502191384847 > 1 > 0 > 0 > 1 > (1E)-3-(butan-2-yldisulfanyl)prop-1-en-1-yl methanesulfinate > 2.6083 > 0 > 0 > 0 > -6.645880636947877 > 26.3 > 63.82560000000001 > 7 > 1 > (1E)-3-(sec-butyldisulfanyl)prop-1-en-1-yl methanesulfinate > 1 > NP0272628 > (1e)-3-(sec-butyldisulfanyl)prop-1-en-1-yl methanesulfinate $$$$