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
-1.9460 1.2440 1.4759 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7968 0.4775 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9243 0.0726 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1187 0.5025 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6996 -0.8195 -1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5008 0.0579 0.2024 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5644 0.4802 1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8900 -0.0834 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2187 0.2983 -0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7131 -0.4045 -1.0644 S 0 0 0 0 0 6 0 0 0 0 0 0
3.9077 -0.5886 -2.5246 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8069 -1.7267 -0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8881 0.6480 -0.4449 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
-4.2972 1.1521 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0112 0.2390 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5785 -1.4882 -1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6142 -0.1804 -2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7711 -1.3751 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3536 0.0427 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5974 1.5721 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8964 -1.1730 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6836 0.3049 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7388 0.7476 0.5141 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