Einecs 278-620-8
Basic information
- CAS
77097-86-0- Standard SMILES
Cc1ccccc1N=C(N)Nc1ccccc1C.O=S(=O)(O)c1ccc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2c1)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Cu+].[H+]- InChIKey
LRYNDFNAMBXGIU-UHFFFAOYSA-O- Molecular formula
- C47H34CuN11O3S
- Average molar mass
- 896.5 g/mol
- Monoisotopic mass
- 895.186277
Names & identifiers
- Preferred name
- Einecs 278-620-8
- IUPAC
- 1,2-bis(2-methylphenyl)guanidine;copper(1+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-6-sulfonic acid;hydron
Names & synonyms
EINECS 278-620-877097-86-0Hydrogen (29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32)cuprate(1-), compound with N,N'-di(o-tolyl)guanidine (1:1)
Database identifiers
- CAS
77097-86-0- PubChem CID
- 129010904
- EC Number
- 278-620-8
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,820
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