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13183-81-8 | 1-Naphthalenesulfonic acid, 3-[(hexadecylamino)carbonyl]-4-hydroxy-, sodium salt (1:1)
CAS No: 13183-81-8 Catalog No: AG000ZSW MDL No:
Product Description
Catalog Number:
AG000ZSW
Chemical Name:
1-Naphthalenesulfonic acid, 3-[(hexadecylamino)carbonyl]-4-hydroxy-, sodium salt (1:1)
CAS Number:
13183-81-8
Molecular Formula:
C27H40NNaO5S
Molecular Weight:
513.6650
IUPAC Name:
sodium;3-(hexadecylcarbamoyl)-4-hydroxynaphthalene-1-sulfonate
InChI:
InChI=1S/C27H41NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-27(30)24-21-25(34(31,32)33)22-18-15-16-19-23(22)26(24)29;/h15-16,18-19,21,29H,2-14,17,20H2,1H3,(H,28,30)(H,31,32,33);/q;+1/p-1
InChI Key:
SMFCODVQSWXCGR-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCNC(=O)c1cc(c2c(c1O)cccc2)S(=O)(=O)[O-].[Na+]
EC Number:
236-133-8
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.252g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
513.669g/mol
Monoisotopic Mass:
513.252g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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