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97659-67-1

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Basic Information
CAS No.: 97659-67-1
Name: CHLOROPHYLLIN
Molecular Structure:
Molecular Structure of 97659-67-1 (CHLOROPHYLLIN)
Formula: C34H27CuN4Na3O7
Molecular Weight: 736.12
Synonyms: Chlorophyllins,copper-sodium;Copper chlorophyllins, sodium salts;Derifil;
EINECS: 307-473-5
PSA: 172.04000
LogP: -1.91980
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Specification

With the CAS registry number 97659-67-1 and EINECS 307-473-5, Chlorophyllins, coppercomplexes, sodium salts is also named as Chlorophyllins, copper-sodium. The formula is C34H27CuN4Na3O7 and molecular weight is 736.11609.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 4; (4)Tautomer Count: 560; (5)Exact Mass: 735.086884; (6)MonoIsotopic Mass: 735.086884; (7)Topological Polar Surface Area: 164; (8)Heavy Atom Count: 49; (9)Formal Charge: 0; (10)Complexity: 1720; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 3; (14)Covalently-Bonded Unit Count: 5.

People can use the following data to convert to the molecule structure. 
1. Canonical SMILES: CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)[O-])C(C4=O)C(=O)[O-])C)C(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]
2. InChI: InChI=1S/C34H32N4O7.Cu.3Na/c1-6-16-13(3)19-10-20-14(4)18(8-9-25(39)40)30(37-20)28-29(34(44)45)32(41)26-15(5)21(38-31(26)28)11-23-17(7-2)27(33(42)43)24(36-23)12-22(16)35-19;;;;/h6,10-12,14,18,29H,1,7-9H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);;;;/q;+2;3*+1/p-5
3. InChIKey: PZCRGWVRQHVKLF-UHFFFAOYSA-I