2-[2-[(4-chloranyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyldodecanoic acid

Systemtic Name: 2-[2-[(4-chloranyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyldodecanoic acid Openeye Name: 2-[2-(4-chloro-3-methyl-anilino)-2-oxo-ethyl]sulfanyldodecanoic acid CAS Name: 2-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]thio]dodecanoic acid IUPAC Name: 2-[2-(4-chloro-3-methylanilino)-2-oxoethyl]sulfanyldodecanoic acid Traditional Name: 2-[[2-(4-chloro-3-methyl-anilino)-2-keto-ethyl]thio]lauric acid Formula: C21H32ClNO3S MolecularWeight: 414.00168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)O)SCC(=O)NC1=CC(=C(C=C1)Cl)C

Isomeric SMILES

CCCCCCCCCCC(C(=O)O)SCC(=O)NC1=CC(=C(C=C1)Cl)C

InChI

InChI=1S/C21H32ClNO3S/c1-3-4-5-6-7-8-9-10-11-19(21(25)26)27-15-20(24)23-17-12-13-18(22)16(2)14-17/h12-14,19H,3-11,15H2,1-2H3,(H,23,24)(H,25,26)