SRM
Molecular Formula:
C42H46FeN4O16
InChI: InChI=1/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24,30-31H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62);/q-4;+4/b26-13-,28-15-,29-14-,32-16-;/t23-,24-,30-,31?,41+,42+;/m1./s1/f/h47,49,51,53,55,57,59,61H;
InChIKey: InChIKey=QFHQPSYOEOJXKF-VPPIFNSADH
SMILES: CC1(C2C=C3C(=C(C(=CC4=C(C(=C([N-]4)C=C5C(C(C(=CC(C1CCC(=O)O)[N-]2)[N-]5)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)[N-]3)CCC(=O)O)CC(=O)O)CC(=O)O.[Fe+4]
Names:
SRM
Registries:
PubChem CID 11957376
PubChem ID 10317523
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