2,2-bis(chloranyl)-12-methylsulfonyl-4-phenyl-dodecanoic acid

Systemtic Name: 2,2-bis(chloranyl)-12-methylsulfonyl-4-phenyl-dodecanoic acid Openeye Name: 2,2-dichloro-12-methylsulfonyl-4-phenyl-dodecanoic acid CAS Name: 2,2-dichloro-12-methylsulfonyl-4-phenyldodecanoic acid IUPAC Name: 2,2-dichloro-12-methylsulfonyl-4-phenyldodecanoic acid Traditional Name: 2,2-dichloro-12-mesyl-4-phenyl-lauric acid Formula: C19H28Cl2O4S MolecularWeight: 423.39422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28Cl2O4S/c1-26(24,25)14-10-5-3-2-4-7-13-17(15-19(20,21)18(22)23)16-11-8-6-9-12-16/h6,8-9,11-12,17H,2-5,7,10,13-15H2,1H3,(H,22,23)