5-chloranyl-5-(4-methylphenyl)sulfonyl-3-oxidanyl-pentanoic acid

Systemtic Name: 5-chloranyl-5-(4-methylphenyl)sulfonyl-3-oxidanyl-pentanoic acid Openeye Name: 5-chloro-3-hydroxy-5-(p-tolylsulfonyl)pentanoic acid CAS Name: 5-chloro-3-hydroxy-5-(4-methylphenyl)sulfonylpentanoic acid IUPAC Name: 5-chloro-3-hydroxy-5-(4-methylphenyl)sulfonylpentanoic acid Traditional Name: 5-chloro-3-hydroxy-5-tosyl-valeric acid Formula: C12H15ClO5S MolecularWeight: 306.7625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO5S/c1-8-2-4-10(5-3-8)19(17,18)11(13)6-9(14)7-12(15)16/h2-5,9,11,14H,6-7H2,1H3,(H,15,16)