名称: 3-(3-carboxypropyl)-2,3-dimethyl-5-sulfonato-1-(3-sulfopropyl)-3H-indolium sodium salt
SMILES:
CC1=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O.[Na]Molecular Processing
Molecular formula
C17H23NNaO8S2
Molecular weight
456.49
Exact mass
456.0763
XLogP
1.12
TPSA
151.88
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.529
Molar refractivity
105.5
Supplementary Information
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