2-chloranylbenzaldehyde; 3-chloranylbenzaldehyde; 4-methylthiobenzaldehyde

Systemtic Name: 2-chloranylbenzaldehyde; 3-chloranylbenzaldehyde; 4-methylthiobenzaldehyde Openeye Name: 2-chlorobenzaldehyde; 3-chlorobenzaldehyde; 4-methylthiobenzaldehyde CAS Name: 2-chlorobenzaldehyde; 3-chlorobenzaldehyde; 4-methylthiobenzaldehyde IUPAC Name: 2-chlorobenzaldehyde; 3-chlorobenzaldehyde; 4-methylthiobenzaldehyde Traditional Name: 2-chlorobenzaldehyde; 3-chlorobenzaldehyde; 4-methylthiobenzaldehyde Formula: C22H18Cl2O2S MolecularWeight: 417.34812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=S.C1=CC=C(C(=C1)C=O)Cl.C1=CC(=CC(=C1)Cl)C=O

Isomeric SMILES

CC1=CC=C(C=C1)C=S.C1=CC=C(C(=C1)C=O)Cl.C1=CC(=CC(=C1)Cl)C=O

InChI

InChI=1S/C8H8S.2C7H5ClO/c1-7-2-4-8(6-9)5-3-7;8-7-3-1-2-6(4-7)5-9;8-7-4-2-1-3-6(7)5-9/h2-6H,1H3;2*1-5H