Indium(III) 2-3-7-8-12-13-17-18-(octaethyl)porphyrin chloride

Catalog Number	ACM32125078-1
CAS	32125-07-8
Structure
Synonyms	22-Chloro-4,5,9,10,14,15,19,20-octaethyl-21,23,24,25-tetraza-22-indahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaene
Molecular Weight	683
Molecular Formula	C36H44ClInN4
Canonical SMILES	CCC1=C(C2=NC1=CC3=C(C(=C4N3[In](N5C(=C2)C(=C(C5=CC6=NC(=C4)C(=C6CC)CC)CC)CC)Cl)CC)CC)CC
InChI	InChI=1S/C36H44N4.ClH.In/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;1H;/q-2;+3/p-1
InChI Key	JZDXJPAQANXCDE-UHFFFAOYSA-M
Exact Mass	682.2293289
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	682.2293289
Rotatable Bond Count	8
Topological Polar Surface Area	32.9 Ų