2-[2,4-bis(3-methylbutyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[2,4-bis(3-methylbutyl)phenyl]sulfanylpropanoic acid Openeye Name: 2-(2,4-diisopentylphenyl)sulfanylpropanoic acid CAS Name: 2-[[2,4-bis(3-methylbutyl)phenyl]thio]propanoic acid IUPAC Name: 2-[2,4-bis(3-methylbutyl)phenyl]sulfanylpropanoic acid Traditional Name: 2-[(2,4-diisoamylphenyl)thio]propionic acid Formula: C19H30O2S MolecularWeight: 322.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=C(C=C1)SC(C)C(=O)O)CCC(C)C

Isomeric SMILES

CC(C)CCC1=CC(=C(C=C1)SC(C)C(=O)O)CCC(C)C

InChI

InChI=1S/C19H30O2S/c1-13(2)6-8-16-9-11-18(22-15(5)19(20)21)17(12-16)10-7-14(3)4/h9,11-15H,6-8,10H2,1-5H3,(H,20,21)