이름: 2-nitro-6-(3-nitro-2-sulfobenzoyl)oxycarbonylbenzenesulfonic acid
SMILES:
C1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)O)C(=O)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])S(=O)(=O)OMolecular Processing
Molecular formula
C14H8N2O13S2
Molecular weight
476.35
Exact mass
475.9468
XLogP
0.99
TPSA
238.39
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0
Molar refractivity
95.57
Supplementary Information
InChIKey: SBYKSSZEPWAYHY-UHFFFAOYSA-N
동의어
3-nitrosulfobenzoic anhydrideSCHEMBL11425792SBYKSSZEPWAYHY-UHFFFAOYSA-N
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