"InChIKey=BDKRZLSOYPYTKG-UHFFFAOYSA-N" . "-1.4" . "0" . "-6.5" . "C17H22NO6PS" . "1.45e-01 g/l" . "InChIKey=XGWVVCFTECTRQS-YDPTYEFTSA-N" . "InChIKey=QRCBLBWFQJDFJQ-JTQLQIEISA-N" . "13" . "ALOGPS" . "InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7+,10+/m0/s1" . "412.112459711" . "ChemAxon" . "InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1" . "332.459" . "CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(=O)OC" . "1" .