Mrv1652306242117483D 19 19 0 0 0 0 999 V2000 5.7522 -0.1940 -0.5505 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6067 0.0243 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2371 0.2716 -0.2572 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 -0.6441 -0.1887 N 0 3 0 0 0 4 0 0 0 0 0 0 2.8010 -1.9396 -0.2861 O 0 5 0 0 0 1 0 0 0 0 0 0 0.9833 -0.3640 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 -1.4193 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -1.1645 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 0.1267 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 0.4015 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 -0.5888 0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 1.7022 0.5908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 1.1604 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 0.9018 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 -2.4492 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0067 -1.9725 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 2.2200 -0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 2.1935 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 1.7338 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 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 2 0 0 0 0 10 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 6 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 M CHG 2 4 1 5 -1 M END > NP0003631 > NP-MRD > [H]OC(=O)C1=C([H])C([H])=C(C([H])=C1[H])[N+](\[O-])=N\C#N > InChI=1S/C8H5N3O3/c9-5-10-11(14)7-3-1-6(2-4-7)8(12)13/h1-4H,(H,12,13)/b11-10- > LDRFVNKBORCKQS-KHPPLWFESA-N > C8H5N3O3 > 191.146 > 191.033091033 > 5 > 19 > 17.291270218149087 > 1 > 1 > 0 > 0 > (Z)-1-(4-carboxyphenyl)-2-cyanodiazen-1-ium-1-olate > 1.30 > -0.7124988564717458 > -2.86 > 0 > 1 > -1 > 5.886718713527515 > 2.7978164967475263 > 99.52 > 47.54740000000001 > 2 > 1 > 2.62e-01 g/l > (Z)-1-(4-carboxyphenyl)-2-cyanodiazen-1-ium-1-olate > 0 > NP0003631 > Calvatic acid $$$$