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23386-52-9 | Butanedioic acid, 2-sulfo-, 1,4-dicyclohexyl ester, sodium salt (1:1)
CAS No: 23386-52-9 Catalog No: AG002N2E MDL No:
Product Description
Catalog Number:
AG002N2E
Chemical Name:
Butanedioic acid, 2-sulfo-, 1,4-dicyclohexyl ester, sodium salt (1:1)
CAS Number:
23386-52-9
Molecular Formula:
C16H26NaO7S
Molecular Weight:
385.4282
IUPAC Name:
sodium;1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonate
InChI:
InChI=1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1
InChI Key:
UELAIMNOXLAYRW-UHFFFAOYSA-M
SMILES:
O=C(CC(S(=O)(=O)O)C(=O)OC1CCCCC1)OC1CCCCC1.[Na]
EC Number:
245-629-3
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.419g/mol
Monoisotopic Mass:
384.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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