Monomers
CID 87705635
Identifiers
IUPAC name
None
InchI
InChI=1S/C6H10O6S.Na/c1-5(2)6(7)11-3-4-12-13(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);
InchI Key
BUJXOJKSMCPEEB-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OCCOS(=O)(=O)O.[Na]
Canonical SMILES
CC(=C)C(=O)OCCOS(=O)(=O)O.[Na]
Isomeric SMILES
CC(=C)C(=O)OCCOS(=O)(=O)O.[Na]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10NaO6S
Heavy Atom Count
14
Molecular Weight
233.197
Exact Molecular Weight
233.0096
Valence Electrons
77
Radical Electrons
1
tPSA
89.9
MolLogP
-0.4557
H Bond Acceptors
5
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 22 0 0 0 0 0 0 0 0999 V2000
-0.8471 -1.4350 -0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 -0.4177 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7870 -0.5893 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2853 -1.8036 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5913 0.5924 1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8681 0.8072 -0.1665 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 1.0288 -0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 0.3617 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7424 0.5939 -0.5611 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9955 -0.1323 0.2392 S 0 0 0 0 0 6 0 0 0 0 0 0
4.0842 0.3173 1.6880 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8736 -1.6288 0.2634 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4362 0.3367 -0.4863 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
-4.2680 -1.9788 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6959 -2.6373 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1705 0.8652 2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6350 0.2860 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4837 1.4097 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3736 0.7616 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5801 2.1299 -0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5428 0.8477 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2974 -0.6979 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2897 0.9825 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 2 0
10 13 1 0
4 15 1 0
4 16 1 0
5 17 1 0
5 18 1 0
5 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
8 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers