5-(dodecylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(dodecylamino)thiophene-2-carboxylic acid Openeye Name: 5-(dodecylamino)thiophene-2-carboxylic acid CAS Name: 5-(dodecylamino)-2-thiophenecarboxylic acid IUPAC Name: 5-(dodecylamino)thiophene-2-carboxylic acid Traditional Name: 5-(laurylamino)-2-thenoic acid Formula: C17H29NO2S MolecularWeight: 311.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C17H29NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-18-16-13-12-15(21-16)17(19)20/h12-13,18H,2-11,14H2,1H3,(H,19,20)