19 18 0 0000 0 0 0 0 0999 V2000 3.4957 -6.3378 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 3.4957 -7.8725 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 4.8173 -5.5704 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0.8242 -7.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4957 -3.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.1600 -10.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1530 -3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4957 -10.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1530 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8242 -10.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.4888 -4.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4957 -12.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.4888 -0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8242 -12.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8103 -3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1600 -13.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8103 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1600 -8.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.8173 -4.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2 18 1 0 3 19 1 0 4 18 2 0 5 19 2 0 6 8 2 0 6 10 1 0 6 18 1 0 7 9 2 0 7 11 1 0 7 19 1 0 8 12 1 0 9 13 1 0 10 14 2 0 11 15 2 0 12 16 2 0 13 17 2 0 14 16 1 0 15 17 1 0 M CHG 3 1 2 2 -1 3 -1 M END > InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2 > NSQPPSOSXWOZNH-UHFFFAOYSA-L > 1/1/N:16,12,14,8,10,6,18,2,4;17,13,15,9,11,7,19,3,5;1/E:2*(2,3)(4,5)(8,9);/rA:29nCa+2O-O-OOCCCCCCCCCCCCCCHHHHHHHHHH/rB:;;;;;;d6;d7;s6;s7;s8;s9;d10;d11;d12s14;d13s15;s2d4s6;s3d5s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;/rC:3.4957,-6.3378,0;3.4957,-7.8725,0;4.8173,-5.5704,0;.8242,-7.8725,0;3.4957,-3.2541,0;2.16,-10.1745,0;6.153,-3.2541,0;3.4957,-10.9561,0;6.153,-1.7194,0;.8242,-10.9561,0;7.4888,-4.0357,0;3.4957,-12.4908,0;7.4888,-.9521,0;.8242,-12.4908,0;8.8103,-3.2541,0;2.16,-13.2581,0;8.8103,-1.7194,0;2.16,-8.6398,0;4.8173,-4.0357,0;4.3199,-10.4729,0;5.3288,-1.2505,0;0,-10.4729,0;7.4888,-4.9878,0;4.3199,-12.9597,0;7.4888,0,0;0,-12.9597,0;9.6487,-3.7373,0;2.16,-14.2102,0;9.6487,-1.2505,0; > C14 H10 Ca O4 > 282.3048 > [Ca+2].[O-]C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O.[O-]C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O > 56210 $$$$