2-chloranyl-4-methylsulfonyl-benzaldehyde hydrate

Systemtic Name: 2-chloranyl-4-methylsulfonyl-benzaldehyde hydrate Openeye Name: 2-chloro-4-methylsulfonyl-benzaldehyde hydrate CAS Name: 2-chloro-4-methylsulfonylbenzaldehyde hydrate IUPAC Name: 2-chloro-4-methylsulfonylbenzaldehyde hydrate Traditional Name: 2-chloro-4-mesyl-benzaldehyde hydrate Formula: C8H9ClO4S MolecularWeight: 236.67266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C=O)Cl.O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C=O)Cl.O

InChI

InChI=1S/C8H7ClO3S.H2O/c1-13(11,12)7-3-2-6(5-10)8(9)4-7;/h2-5H,1H3;1H2