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

Systemtic Name: 1-[4-(hexadecylamino)phenyl]carbonyloxyethanesulfonic acid Openeye Name: 1-[4-(hexadecylamino)benzoyl]oxyethanesulfonic acid CAS Name: 1-[[4-(hexadecylamino)phenyl]-oxomethoxy]ethanesulfonic acid IUPAC Name: 1-[4-(hexadecylamino)benzoyl]oxyethanesulfonic acid Traditional Name: 1-[4-(cetylamino)benzoyl]oxyethanesulfonic acid Formula: C25H43NO5S MolecularWeight: 469.67762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)S(=O)(=O)O

InChI

InChI=1S/C25H43NO5S/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)