2-phenylethanal; 3-phenyl-2-(phenylmethyl)propanoate

Systemtic Name: 2-phenylethanal; 3-phenyl-2-(phenylmethyl)propanoate Openeye Name: 2-benzyl-3-phenyl-propanoate; 2-phenylacetaldehyde CAS Name: 2-phenylacetaldehyde; 3-phenyl-2-(phenylmethyl)propanoate IUPAC Name: 2-benzyl-3-phenylpropanoate; 2-phenylacetaldehyde Traditional Name: 2-benzyl-3-phenyl-propionate; 2-phenylacetaldehyde Formula: C24H23O3- MolecularWeight: 359.43762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC=O.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC=O.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H16O2.C8H8O/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;9-7-6-8-4-2-1-3-5-8/h1-10,15H,11-12H2,(H,17,18);1-5,7H,6H2/p-1