241
Marvin 12300703363D
12 12 0 0 0 0 999 V2000
-0.7040 -1.2194 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 -1.2194 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 -0.0000 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 1.2194 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 -2.1048 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 -2.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4304 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4304 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 2.1048 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 2.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
1 7 1 0 0 0 0
2 4 1 0 0 0 0
2 8 1 0 0 0 0
3 5 2 0 0 0 0
3 9 1 0 0 0 0
4 6 2 0 0 0 0
4 10 1 0 0 0 0
5 6 1 0 0 0 0
5 11 1 0 0 0 0
6 12 1 0 0 0 0
M END
> <PUBCHEM_BONDANNOTATIONS>
1 2 8
1 3 8
2 4 8
3 5 8
4 6 8
5 6 8
> <StdInChI>
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
> <StdInChIKey>
UHOVQNZJYSORNB-UHFFFAOYSA-N
> <AuxInfo>
1/0/N:1,2,3,4,5,6/E:(1,2,3,4,5,6)/rA:12nCCCCCCHHHHHH/rB:d1;s1;s2;d3;d4s5;s1;s2;s3;s4;s5;s6;/rC:-.704,-1.2194,0;.704,-1.2194,0;-1.4081,0,0;1.4081,0,0;-.704,1.2194,0;.704,1.2194,0;-1.2152,-2.1048,0;1.2152,-2.1048,0;-2.4304,0,0;2.4304,0,0;-1.2152,2.1048,0;1.2152,2.1048,0;
> <Formula>
C6 H6
> <Mw>
78.11184
> <SMILES>
C1([H])C([H])=C([H])C([H])=C([H])C=1[H]
> <CSID>
236
$$$$