Ag (II) protoporphyrin IX

Catalog Number	ACM80481089
CAS	80481-08-9
Synonyms	3-[(1Z,4Z,10Z,14Z)-18-(2-Carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;silver
Molecular Weight	668.51
Molecular Formula	C34H32AgN4O4
Canonical SMILES	CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N-]2)C=C)C)[N-]4)C=C)C)C)CCC(=O)O)CCC(=O)O.[Ag]
InChI	InChI=1S/C34H32N4O4.Ag/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;/b25-13-,26-13,27-14?,28-15-,29-14-,30-15,31-16,32-16-;
InChI Key	CEPSBRKIJFCJBG-QPPPNFCJSA-N
Purity	98%
Complexity	1390
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	667.14745
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC\1=C(/C/2=C/C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C1\[N-]2)C=C)C)/[N-]4)C=C)C)C)CCC(=O)O)CCC(=O)O.[Ag]
Monoisotopic Mass	667.14745
Rotatable Bond Count	8
Topological Polar Surface Area	78.6 Ų