SMILES:
CC1(CCCS(=O)(=O)O)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCC(=O)O)=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21.[Na+].[Na+].[Na+].[Na+]Molecular Processing
Molecular formula
C36H47N2Na4O17S5+5
Molecular weight
1032.06
Exact mass
1031.1042
XLogP
-8.19
TPSA
315.4
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
21
Heavy atoms
64
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
5
Heteroatoms
28
Covalent units
5
Fraction Csp3
0.444
Molar refractivity
219.92
Supplementary Information
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