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Home > Other Building Blocks > 102338-86-3
102338-86-3 | 1,3-Benzenediol, 5-pentadecyl-, 1,3-bis(hydrogen sulfate)
CAS No: 102338-86-3 Catalog No: AG00077O MDL No:
Product Description
Catalog Number:
AG00077O
Chemical Name:
1,3-Benzenediol, 5-pentadecyl-, 1,3-bis(hydrogen sulfate)
CAS Number:
102338-86-3
Molecular Formula:
C21H38O9S2
Molecular Weight:
498.6510
IUPAC Name:
5-pentadecylbenzene-1,3-diol;sulfo hydrogen sulfate
InChI:
InChI=1S/C21H36O2.H2O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19;1-8(2,3)7-9(4,5)6/h16-18,22-23H,2-15H2,1H3;(H,1,2,3)(H,4,5,6)
InChI Key:
FCVSASRLVUAVGR-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)OS(=O)(=O)O.CCCCCCCCCCCCCCCc1cc(O)cc(c1)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.196g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
498.646g/mol
Monoisotopic Mass:
498.196g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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