2-[4-(3-methylbutoxy)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(3-methylbutoxy)phenyl]sulfanylethanoic acid Openeye Name: 2-(4-isopentyloxyphenyl)sulfanylacetic acid CAS Name: 2-[[4-(3-methylbutoxy)phenyl]thio]acetic acid IUPAC Name: 2-[4-(3-methylbutoxy)phenyl]sulfanylacetic acid Traditional Name: 2-[(4-isoamoxyphenyl)thio]acetic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)SCC(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)SCC(=O)O

InChI

InChI=1S/C13H18O3S/c1-10(2)7-8-16-11-3-5-12(6-4-11)17-9-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)