BLACK PN(2519-30-4) IR1
Molecular FormulaC28H22N5NaO14S4
Molecular Weight803.73
InChIInChI=1S/C28H21N5O14S4.Na.H/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;/b31-30+,33-32+;;
InChIKey KVVUIRRFQNZZSM-MYYXEQMMSA-N
SmilesN(C1=CC=C(S(O)(=O)=O)C2=CC(S(O)(=O)=O)=C(/N=N/C3=CC=C(/N=N/C4C=CC(S(O)(=O)=O)=CC=4)C4=CC=C(S(O)(=O)=O)C=C34)C(O)=C12)C(=O)C.[NaH]
KBr disc
