Vanadium(IV) etioporphyrin III oxide

Catalog Number	ACM15709032-1
CAS	15709-03-2
Structure
Synonyms	Oxygen(2-);2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-22,23-diide;vanadium(4+)
Molecular Weight	543.6
Molecular Formula	C32H36N4OV
Canonical SMILES	CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C)CC)C.[O-2].[V+4]
InChI	InChI=1S/C32H36N4.O.V/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16H,9-12H2,1-8H3;/q2*-2;+4
InChI Key	ZFSZZMVZLBUSQC-UHFFFAOYSA-N
Purity	99%
Appearance	Crystalline
Complexity	607
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	543.232869
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	543.232869
Rotatable Bond Count	4
Topological Polar Surface Area	28.8 Ų