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10027-28-8 | Butanedioic acid, 2-sulfo-, 1,4-dioctadecyl ester, sodium salt (1:1)
CAS No: 10027-28-8 Catalog No: AG0001FV MDL No:
Product Description
Catalog Number:
AG0001FV
Chemical Name:
Butanedioic acid, 2-sulfo-, 1,4-dioctadecyl ester, sodium salt (1:1)
CAS Number:
10027-28-8
Molecular Formula:
C40H78NaO7S
Molecular Weight:
726.0979
IUPAC Name:
sodium;1,4-dioctadecoxy-1,4-dioxobutane-2-sulfonate
InChI:
InChI=1S/C40H78O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46-39(41)37-38(48(43,44)45)40(42)47-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h38H,3-37H2,1-2H3,(H,43,44,45);/q;+1/p-1
InChI Key:
MNUUUYJEIIJTKT-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC.[Na]
EC Number:
233-067-1
Properties
Complexity:
816
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
724.529g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
725.099g/mol
Monoisotopic Mass:
724.529g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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