Ni-sirohydrochlorin
Chemical Formula:
C42H36N4O16NI
Molecular Weight:
911.464 Daltons
Monoisotopic Mass:
918.2105792868 Daltons
SMILES:
CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Ni--](N34)([N+]=56)[N+]=78))))))))
InChI:
1S/C42H46N4O16.Ni/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;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-10/t23-,24-,41+,42+;/m1./s1
InChIKey:
Databases
MetaCyc:
CPD-7564
ChEBI:
136841
PubChem (CID):
126843516
Seed:
cpd24795
MetaNetX:
MNXM12828