2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentyl-propanal

Systemtic Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentyl-propanal Openeye Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentyl-propanal CAS Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentylpropanal IUPAC Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentylpropanal Traditional Name: 3-cyclopentyl-2-(3,4-dimesylphenyl)propionaldehyde Formula: C16H22O5S2 MolecularWeight: 358.47288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C=O)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C=O)S(=O)(=O)C

InChI

InChI=1S/C16H22O5S2/c1-22(18,19)15-8-7-13(10-16(15)23(2,20)21)14(11-17)9-12-5-3-4-6-12/h7-8,10-12,14H,3-6,9H2,1-2H3