2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-dodecan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-dodecan-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(p-tolylcarbamoyl)undecylsulfanyl]acetic acid CAS Name: 2-[[1-(4-methylanilino)-1-oxododecan-2-yl]thio]acetic acid IUPAC Name: 2-[1-(4-methylanilino)-1-oxododecan-2-yl]sulfanylacetic acid Traditional Name: 2-[1-(p-tolylcarbamoyl)undecylthio]acetic acid Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3S/c1-3-4-5-6-7-8-9-10-11-19(26-16-20(23)24)21(25)22-18-14-12-17(2)13-15-18/h12-15,19H,3-11,16H2,1-2H3,(H,22,25)(H,23,24)