oxepan-2-one; 2-oxidanylideneoxepane-3-carboxylic acid; prop-2-enoic acid

Systemtic Name: oxepan-2-one; 2-oxidanylideneoxepane-3-carboxylic acid; prop-2-enoic acid Openeye Name: acrylic acid; oxepan-2-one; 2-oxooxepane-3-carboxylic acid CAS Name: 2-oxepanone; 2-oxo-3-oxepanecarboxylic acid; 2-propenoic acid IUPAC Name: oxepan-2-one; 2-oxooxepane-3-carboxylic acid; prop-2-enoic acid Traditional Name: acrylic acid; 2-ketooxepane-3-carboxylic acid; oxepan-2-one Formula: C16H24O8 MolecularWeight: 344.35696

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)O.C1CCC(=O)OCC1.C1CCOC(=O)C(C1)C(=O)O

Isomeric SMILES

C=CC(=O)O.C1CCC(=O)OCC1.C1CCOC(=O)C(C1)C(=O)O

InChI

InChI=1S/C7H10O4.C6H10O2.C3H4O2/c8-6(9)5-3-1-2-4-11-7(5)10;7-6-4-2-1-3-5-8-6;1-2-3(4)5/h5H,1-4H2,(H,8,9);1-5H2;2H,1H2,(H,4,5)