2-[(2R,3S,7S)-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enoxy]-7-methyl-oxepan-2-yl]ethanoic acid

Systemtic Name: 2-[(2R,3S,7S)-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enoxy]-7-methyl-oxepan-2-yl]ethanoic acid Openeye Name: 2-[(2R,3S,7S)-3-[(E)-3-methoxy-3-oxo-prop-1-enoxy]-7-methyl-oxepan-2-yl]acetic acid CAS Name: 2-[(2R,3S,7S)-3-[(E)-3-methoxy-3-oxoprop-1-enoxy]-7-methyl-2-oxepanyl]acetic acid IUPAC Name: 2-[(2R,3S,7S)-3-[(E)-3-methoxy-3-oxoprop-1-enoxy]-7-methyloxepan-2-yl]acetic acid Traditional Name: 2-[(2R,3S,7S)-3-[(E)-3-keto-3-methoxy-prop-1-enoxy]-7-methyl-oxepan-2-yl]acetic acid Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(O1)CC(=O)O)OC=CC(=O)OC

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H](O1)CC(=O)O)O/C=C/C(=O)OC

InChI

InChI=1S/C13H20O6/c1-9-4-3-5-10(11(19-9)8-12(14)15)18-7-6-13(16)17-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,14,15)/b7-6+/t9-,10-,11+/m0/s1