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CAS 1208-67-9
PharmaCompass
  • Chemistry
CAS 1208-67-9
Also known as: 1208-67-9, Sodium 4-[(2-methylprop-2-en-1-yl)oxy]benzenesulfonate, Benzenesulfonic acid, 4-[(2-methyl-2-propenyl)oxy]-, sodium salt, 4-sulfophenylmethallyl ether, Sodium p-(methallyloxy)phenylsulfonate, Benzenesulfonic acid, 4-((2-methyl-2-propenyl)oxy)-, sodium salt
Molecular Formula
C10H11NaO4S
Molecular Weight
250.244  g/mol
InChI Key
QAGISKMUKULVAU-UHFFFAOYSA-M

1 2D Structure

CAS 1208-67-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;4-(2-methylprop-2-enoxy)benzenesulfonate
2.1.2 InChI
InChI=1S/C10H12O4S.Na/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;/h3-6H,1,7H2,2H3,(H,11,12,13);/q;+1/p-1
2.1.3 InChI Key
QAGISKMUKULVAU-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(=C)COC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1208-67-9

2. Sodium 4-[(2-methylprop-2-en-1-yl)oxy]benzenesulfonate

3. Benzenesulfonic Acid, 4-[(2-methyl-2-propenyl)oxy]-, Sodium Salt

4. 4-sulfophenylmethallyl Ether

5. Sodium P-(methallyloxy)phenylsulfonate

6. Benzenesulfonic Acid, 4-((2-methyl-2-propenyl)oxy)-, Sodium Salt

7. Benzenesulfonic Acid, 4-((2-methyl-2-propen-1-yl)oxy)-, Sodium Salt (1:1)

8. Benzenesulfonic Acid, 4-[(2-methyl-2-propen-1-yl)oxy]-, Sodium Salt (1:1)

9. Einecs 214-901-3

10. P-sulfophenyl Methallyl Ether, Sodium Salt

11. Ac1q1vew

12. Schembl1129346

13. Dtxsid9061625

14. Ctk4b2076

15. Da-17491

16. Ft-0743382

17. 4-methallyloxybenzenesulfonic Acid Sodium Salt

18. Benzenesulfonic Acid,4-[(2-methyl-2-propen-1-yl)oxy]-, Sodium Salt (1:1)

2.3 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 250.244 g/mol
Molecular Formula C10H11NaO4S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass250.028 g/mol
Monoisotopic Mass250.028 g/mol
Topological Polar Surface Area74.8 A^2
Heavy Atom Count16
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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