2-(carboxymethylsulfanyl)-2-(2-octylphenyl)ethanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-2-(2-octylphenyl)ethanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-2-(2-octylphenyl)acetic acid CAS Name: 2-(carboxymethylthio)-2-(2-octylphenyl)acetic acid IUPAC Name: 2-(carboxymethylsulfanyl)-2-(2-octylphenyl)acetic acid Traditional Name: 2-(carboxymethylthio)-2-(2-octylphenyl)acetic acid Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(C(=O)O)SCC(=O)O

InChI

InChI=1S/C18H26O4S/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)17(18(21)22)23-13-16(19)20/h8-9,11-12,17H,2-7,10,13H2,1H3,(H,19,20)(H,21,22)