ethanoic acid; 2-phenethyl-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde

Systemtic Name: ethanoic acid; 2-phenethyl-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde Openeye Name: acetic acid; 2-phenethyl-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde CAS Name: acetic acid; 2-phenethyl-7-oxabicyclo[2.2.1]heptane-3-carboxaldehyde IUPAC Name: acetic acid; 2-phenethyl-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde Traditional Name: acetic acid; 2-phenethyl-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC2C(C(C1O2)CCC3=CC=CC=C3)C=O

Isomeric SMILES

CC(=O)O.C1CC2C(C(C1O2)CCC3=CC=CC=C3)C=O

InChI

InChI=1S/C15H18O2.C2H4O2/c16-10-13-12(14-8-9-15(13)17-14)7-6-11-4-2-1-3-5-11;1-2(3)4/h1-5,10,12-15H,6-9H2;1H3,(H,3,4)