2-(2-dodecylphenyl)-2-(2-sulfoethylsulfanyl)ethanoic acid

Systemtic Name: 2-(2-dodecylphenyl)-2-(2-sulfoethylsulfanyl)ethanoic acid Openeye Name: 2-(2-dodecylphenyl)-2-(2-sulfoethylsulfanyl)acetic acid CAS Name: 2-(2-dodecylphenyl)-2-(2-sulfoethylthio)acetic acid IUPAC Name: 2-(2-dodecylphenyl)-2-(2-sulfoethylsulfanyl)acetic acid Traditional Name: 2-(2-laurylphenyl)-2-(2-sulfoethylthio)acetic acid Formula: C22H36O5S2 MolecularWeight: 444.64824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SCCS(=O)(=O)O

InChI

InChI=1S/C22H36O5S2/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)21(22(23)24)28-17-18-29(25,26)27/h12-13,15-16,21H,2-11,14,17-18H2,1H3,(H,23,24)(H,25,26,27)