5-methyl-2-methylidene-4-oxidanyl-5-(phenylmethylsulfanyl)hexanoic acid

Systemtic Name: 5-methyl-2-methylidene-4-oxidanyl-5-(phenylmethylsulfanyl)hexanoic acid Openeye Name: 5-benzylsulfanyl-4-hydroxy-5-methyl-2-methylene-hexanoic acid CAS Name: 4-hydroxy-5-methyl-2-methylene-5-(phenylmethylthio)hexanoic acid IUPAC Name: 5-benzylsulfanyl-4-hydroxy-5-methyl-2-methylidenehexanoic acid Traditional Name: 2-[3-(benzylthio)-2-hydroxy-3-methyl-butyl]acrylic acid Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC(=C)C(=O)O)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(CC(=C)C(=O)O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C15H20O3S/c1-11(14(17)18)9-13(16)15(2,3)19-10-12-7-5-4-6-8-12/h4-8,13,16H,1,9-10H2,2-3H3,(H,17,18)