HE5

Summary

Name:	ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER
Synonyms:	ZND-DME
Formula:	C32 H34 N4 O4 Zn
Formal charge:	0
Formula weight:	604.046 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.341	COC(=O)CCc1c(C)c2C=C3C[C@H](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC
SMILES	CACTVS	3.341	COC(=O)CCc1c(C)c2C=C3C[CH](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C
InChI	InChI	1.03	InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h12-17H,7-11H2,1-6H3;/q-4;+4/b22-14-,25-13-,28-15-,30-16-;
InChIKey	InChI	1.03	QTRUNGZFGQPYEG-XPUTWRDZSA-N