Cu(II) meso-tetra(4-sulfonatophenyl) porphine

Catalog Number	ACM56047848-1
CAS	56047-84-8
Synonyms	5,10,15,20-Tetrakis(4-sulfonatophenyl)-21H,23H-porphine copper(II)
Molecular Weight	996.52
Molecular Formula	C44H28CuN4O12S4
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)[N-]3)S(=O)(=O)O.[Cu+2]
InChI	InChI=1S/C44H28N4O12S4.Cu/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);/q-2;+2
InChI Key	FBYAOHXWXCVHGH-UHFFFAOYSA-N
Purity	95%
Complexity	2310
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	994.988254
Heavy Atom Count	65
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	4
Monoisotopic Mass	994.988254
Rotatable Bond Count	8
Topological Polar Surface Area	278 Ų