Marvin 10310613032D 7 7 0 0 0 0 999 V2000 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 3 5 2 0 0 0 0 7 3 1 0 0 0 0 1 7 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 M END > CHEBI:17578 > toluene > The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. > 3 > CHEBI:44023; CHEBI:9624; CHEBI:15248; CHEBI:27022 > Toluol; toluene; toluene; TOLUENE; Toluene; Toluen; phenylmethane; methylbenzene > toluene > C7H8 > 92.13842 > 92.06260 > 0 > Cc1ccccc1 > InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 > YXFVVABEGXRONW-UHFFFAOYSA-N > 635760 > 108-88-3 > 2456 > 635760 > 108-88-3 > DB01900 > C01455 > 108-88-3 > MBN > Toluene > 11182169; 11314682; 11846266; 11991009; 12062755; 12213539; 12237258; 12784113; 12876426; 14512097; 14559343; 14605898; 15015825; 15019953; 15119846; 15193425; 15542760; 15567510; 15695158; 15796064; 16316648; 16348226; 16601996; 17145141; 17175136; 17497535; 17725881; 18397809; 18832024; 19261054; 19384711; 19429395; 19635754; 19765629; 19825861; 19928203; 19969016; 20347282; 20837561; 21430649; 21655021; 21731073; 21802510; 21840036 $$$$