2-phenylethanal; 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

Systemtic Name: 2-phenylethanal; 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one Openeye Name: 2-phenylacetaldehyde; 1,7,7-trimethylnorbornan-2-one CAS Name: 2-phenylacetaldehyde; 4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone IUPAC Name: 2-phenylacetaldehyde; 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one Traditional Name: camphor; 2-phenylacetaldehyde Formula: C18H24O2 MolecularWeight: 272.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)C)C.C1=CC=C(C=C1)CC=O

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)C)C.C1=CC=C(C=C1)CC=O

InChI

InChI=1S/C10H16O.C8H8O/c1-9(2)7-4-5-10(9,3)8(11)6-7;9-7-6-8-4-2-1-3-5-8/h7H,4-6H2,1-3H3;1-5,7H,6H2