2-(carboxymethylsulfanyl)-2-(2-undecoxyphenyl)ethanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-2-(2-undecoxyphenyl)ethanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-2-(2-undecoxyphenyl)acetic acid CAS Name: 2-(carboxymethylthio)-2-(2-undecoxyphenyl)acetic acid IUPAC Name: 2-(carboxymethylsulfanyl)-2-(2-undecoxyphenyl)acetic acid Traditional Name: 2-(carboxymethylthio)-2-(2-undecoxyphenyl)acetic acid Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=CC=C1C(C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=CC=CC=C1C(C(=O)O)SCC(=O)O

InChI

InChI=1S/C21H32O5S/c1-2-3-4-5-6-7-8-9-12-15-26-18-14-11-10-13-17(18)20(21(24)25)27-16-19(22)23/h10-11,13-14,20H,2-9,12,15-16H2,1H3,(H,22,23)(H,24,25)