4-(6-sulfanylhexadecylamino)benzoic acid

Systemtic Name: 4-(6-sulfanylhexadecylamino)benzoic acid Openeye Name: 4-(6-sulfanylhexadecylamino)benzoic acid CAS Name: 4-(6-mercaptohexadecylamino)benzoic acid IUPAC Name: 4-(6-sulfanylhexadecylamino)benzoic acid Traditional Name: 4-(6-mercaptohexadecylamino)benzoic acid Formula: C23H39NO2S MolecularWeight: 393.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)O)S

Isomeric SMILES

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)O)S

InChI

InChI=1S/C23H39NO2S/c1-2-3-4-5-6-7-8-10-13-22(27)14-11-9-12-19-24-21-17-15-20(16-18-21)23(25)26/h15-18,22,24,27H,2-14,19H2,1H3,(H,25,26)