(2S,3R)-2-methyl-2-oxidanyl-3-[(E)-prop-1-enyl]heptanoic acid

Systemtic Name: (2S,3R)-2-methyl-2-oxidanyl-3-[(E)-prop-1-enyl]heptanoic acid Openeye Name: (2S,3R)-2-hydroxy-2-methyl-3-[(E)-prop-1-enyl]heptanoic acid CAS Name: (2S,3R)-2-hydroxy-2-methyl-3-[(E)-prop-1-enyl]heptanoic acid IUPAC Name: (2S,3R)-2-hydroxy-2-methyl-3-[(E)-prop-1-enyl]heptanoic acid Traditional Name: (E,2S,3R)-3-butyl-2-hydroxy-2-methyl-hex-4-enoic acid Formula: C11H20O3 MolecularWeight: 200.2747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CC)C(C)(C(=O)O)O

Isomeric SMILES

CCCC[C@H](/C=C/C)[C@@](C)(C(=O)O)O

InChI

InChI=1S/C11H20O3/c1-4-6-8-9(7-5-2)11(3,14)10(12)13/h5,7,9,14H,4,6,8H2,1-3H3,(H,12,13)/b7-5+/t9-,11-/m0/s1