O=S(=O)([O-])c1ccc(CCCc2ccc(P(c3ccc(CCCc4ccc(S(=O)(=O)[O-])cc4)cc3)c3ccc4ccccc4c3-c3c(P(c4ccc(CCCc5ccc(S(=O)(=O)[O-])cc5)cc4)c4ccc(CCCc5ccc(S(=O)(=O)[O-])cc5)cc4)ccc4ccccc34)cc2)cc1
Name: (R)-(+)-BINAP
SMILES: O=S(=O)([O-])c1ccc(CCCc2ccc(P(c3ccc(CCCc4ccc(S(=O)(=O)[O-])cc4)cc3)c3ccc4ccccc4c3-c3c(P(c4ccc(CCCc5ccc(S(=O)(=O)[O-])cc5)cc4)c4ccc(CCCc5ccc(S(=O)(=O)[O-])cc5)cc4)ccc4ccccc34)cc2)cc1

Molecular Processing

Molecular formula
C80H68O12P2S4-4
Molecular weight
1411.63
Exact mass
1410.3091
XLogP
13.49
TPSA
228.8
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
27
Heavy atoms
98
Rings
12
Aromatic rings
12
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-4
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
390.02

Supplementary Information

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