COc1ccc(C2(OCCCS(=O)(=O)[O-])OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1
SMILES: COc1ccc(C2(OCCCS(=O)(=O)[O-])OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1

Molecular Processing

Molecular formula
C31H31O12S-
Molecular weight
627.64
Exact mass
627.1542
XLogP
3.81
TPSA
148.11
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
155.18

Supplementary Information

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