7,7-dimethyl-2-oxidanylidene-4-phenylmethoxy-oxepane-4-carboxylic acid

Systemtic Name: 7,7-dimethyl-2-oxidanylidene-4-phenylmethoxy-oxepane-4-carboxylic acid Openeye Name: 4-benzyloxy-7,7-dimethyl-2-oxo-oxepane-4-carboxylic acid CAS Name: 7,7-dimethyl-2-oxo-4-phenylmethoxy-4-oxepanecarboxylic acid IUPAC Name: 7,7-dimethyl-2-oxo-4-phenylmethoxyoxepane-4-carboxylic acid Traditional Name: 4-benzoxy-2-keto-7,7-dimethyl-oxepane-4-carboxylic acid Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC(=O)O1)(C(=O)O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCC(CC(=O)O1)(C(=O)O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C16H20O5/c1-15(2)8-9-16(14(18)19,10-13(17)21-15)20-11-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,19)