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
-0.6477 -1.4595 -0.3225 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3330 -0.4320 -0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7804 -0.4508 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4833 0.6349 -0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4936 -1.6911 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7154 0.7335 -0.9181 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6619 0.8348 -1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4567 0.5640 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8172 0.6801 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7607 0.3987 1.2347 S 0 0 0 0 0 6 0 0 0 0 0 0
3.0543 -0.1740 2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3632 1.7260 1.6686 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0469 -0.6005 0.7573 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
-4.5488 0.6265 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9980 1.5626 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5643 -1.6071 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4242 -1.7822 1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0486 -2.5844 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0355 0.2404 -1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8709 1.9037 -1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2019 1.4012 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1588 -0.3773 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6095 -0.1473 0.1003 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