2,4-bis(chloranyl)benzaldehyde; 2-phenylethanoic acid; phenylmethanamine

Systemtic Name: 2,4-bis(chloranyl)benzaldehyde; 2-phenylethanoic acid; phenylmethanamine Openeye Name: 2,4-dichlorobenzaldehyde; 2-phenylacetic acid; phenylmethanamine CAS Name: 2,4-dichlorobenzaldehyde; 2-phenylacetic acid; phenylmethanamine IUPAC Name: 2,4-dichlorobenzaldehyde; 2-phenylacetic acid; phenylmethanamine Traditional Name: benzylamine; 2,4-dichlorobenzaldehyde; 2-phenylacetic acid Formula: C22H21Cl2NO3 MolecularWeight: 418.31304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN.C1=CC(=C(C=C1Cl)Cl)C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN.C1=CC(=C(C=C1Cl)Cl)C=O

InChI

InChI=1S/C8H8O2.C7H4Cl2O.C7H9N/c9-8(10)6-7-4-2-1-3-5-7;8-6-2-1-5(4-10)7(9)3-6;8-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10);1-4H;1-5H,6,8H2