2-(4-phenoxybutylsulfanyl)ethanoic acid

Systemtic Name: 2-(4-phenoxybutylsulfanyl)ethanoic acid Openeye Name: 2-(4-phenoxybutylsulfanyl)acetic acid CAS Name: 2-(4-phenoxybutylthio)acetic acid IUPAC Name: 2-(4-phenoxybutylsulfanyl)acetic acid Traditional Name: 2-(4-phenoxybutylthio)acetic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCSCC(=O)O

InChI

InChI=1S/C12H16O3S/c13-12(14)10-16-9-5-4-8-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)