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sodium 1-[4-(hexadecylamino)phenyl]carbonyloxyethanesulfonic acid

sodium 1-[4-(hexadecylamino)phenyl]carbonyloxyethanesulfonic acid

Systemtic Name:sodium 1-[4-(hexadecylamino)phenyl]carbonyloxyethanesulfonic acid
Openeye Name:sodium 1-[4-(hexadecylamino)benzoyl]oxyethanesulfonic acid
CAS Name:sodium 1-[[4-(hexadecylamino)phenyl]-oxomethoxy]ethanesulfonic acid
IUPAC Name:sodium 1-[4-(hexadecylamino)benzoyl]oxyethanesulfonic acid
Traditional Name:sodium 1-[4-(cetylamino)benzoyl]oxyethanesulfonic acid
Formula: C25H43NNaO5S+
MolecularWeight: 492.66739
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)S(=O)(=O)O.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)S(=O)(=O)O.[Na+]


InChI

InChI=1S/C25H43NO5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-24-19-17-23(18-20-24)25(27)31-22(2)32(28,29)30;/h17-20,22,26H,3-16,21H2,1-2H3,(H,28,29,30);/q;+1


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