2-[(4-hexylphenyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-hexylphenyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(4-hexylanilino)-3-sulfanyl-propanoic acid CAS Name: 2-(4-hexylanilino)-3-mercaptopropanoic acid IUPAC Name: 2-(4-hexylanilino)-3-sulfanylpropanoic acid Traditional Name: 2-(4-hexylanilino)-3-mercapto-propionic acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(CS)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(CS)C(=O)O

InChI

InChI=1S/C15H23NO2S/c1-2-3-4-5-6-12-7-9-13(10-8-12)16-14(11-19)15(17)18/h7-10,14,16,19H,2-6,11H2,1H3,(H,17,18)