4-(2-sulfanyltetradecylamino)benzoic acid

Systemtic Name: 4-(2-sulfanyltetradecylamino)benzoic acid Openeye Name: 4-(2-sulfanyltetradecylamino)benzoic acid CAS Name: 4-(2-mercaptotetradecylamino)benzoic acid IUPAC Name: 4-(2-sulfanyltetradecylamino)benzoic acid Traditional Name: 4-(2-mercaptotetradecylamino)benzoic acid Formula: C21H35NO2S MolecularWeight: 365.5731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CNC1=CC=C(C=C1)C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCC(CNC1=CC=C(C=C1)C(=O)O)S

InChI

InChI=1S/C21H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-20(25)17-22-19-15-13-18(14-16-19)21(23)24/h13-16,20,22,25H,2-12,17H2,1H3,(H,23,24)