(E,3S)-5-ethyl-4,4-dimethyl-3-oxidanyl-hept-5-enoic acid

Systemtic Name: (E,3S)-5-ethyl-4,4-dimethyl-3-oxidanyl-hept-5-enoic acid Openeye Name: (E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-hept-5-enoic acid CAS Name: (E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-5-heptenoic acid IUPAC Name: (E,3S)-5-ethyl-3-hydroxy-4,4-dimethylhept-5-enoic acid Traditional Name: (E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-hept-5-enoic acid Formula: C11H20O3 MolecularWeight: 200.2747

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(C)(C)C(CC(=O)O)O

Isomeric SMILES

CC/C(=C\C)/C(C)(C)[C@H](CC(=O)O)O

InChI

InChI=1S/C11H20O3/c1-5-8(6-2)11(3,4)9(12)7-10(13)14/h5,9,12H,6-7H2,1-4H3,(H,13,14)/b8-5+/t9-/m0/s1