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
-1.6497 -1.9863 0.8535 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7494 -0.8024 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0934 -0.2089 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1500 -0.8847 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3071 1.2004 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6206 -0.1438 0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6770 -0.7276 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7266 0.2152 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9496 -0.4519 -0.3891 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2150 0.4831 -0.9071 S 0 0 0 0 0 6 0 0 0 0 0 0
4.8439 -0.0540 -2.1526 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 1.9080 -1.1638 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3980 0.4581 0.2988 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
-4.1163 -1.9044 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1111 -0.4065 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6832 1.3875 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0417 1.8491 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3620 1.3426 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7041 -1.6383 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9023 -0.9573 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5407 0.5667 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8286 1.1071 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2858 -0.3520 0.8780 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