Vanadyl octaethylporphine

Catalog Number	ACM27860555-2
CAS	27860-55-5
Structure
Synonyms	2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine vanadium(IV) oxide
Molecular Weight	599.7
Molecular Formula	C36H44N4OV
Canonical SMILES	CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.O=[V+2]
InChI	InChI=1S/C36H44N4.O.V/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key	XIJDRZKWTNMUAR-UHFFFAOYSA-N
Purity	95%
Appearance	Crystal
Complexity	1170
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	599.29547
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	599.29547
Rotatable Bond Count	8
Topological Polar Surface Area	43.8 Ų