ethanoic acid; 2-[(3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde

Systemtic Name: ethanoic acid; 2-[(3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde Openeye Name: acetic acid; 2-(m-tolylmethyl)-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde CAS Name: acetic acid; 2-[(3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxaldehyde IUPAC Name: acetic acid; 2-[(3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde Traditional Name: acetic acid; 2-(3-methylbenzyl)-7-oxabicyclo[2.2.1]heptane-3-carbaldehyde Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2C3CCC(C2C=O)O3.CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC2C3CCC(C2C=O)O3.CC(=O)O

InChI

InChI=1S/C15H18O2.C2H4O2/c1-10-3-2-4-11(7-10)8-12-13(9-16)15-6-5-14(12)17-15;1-2(3)4/h2-4,7,9,12-15H,5-6,8H2,1H3;1H3,(H,3,4)