5-(4-chloranylsulfonyl-2-methyl-phenoxy)pentanoic acid

Systemtic Name: 5-(4-chloranylsulfonyl-2-methyl-phenoxy)pentanoic acid Openeye Name: 5-(4-chlorosulfonyl-2-methyl-phenoxy)pentanoic acid CAS Name: 5-(4-chlorosulfonyl-2-methylphenoxy)pentanoic acid IUPAC Name: 5-(4-chlorosulfonyl-2-methylphenoxy)pentanoic acid Traditional Name: 5-(4-chlorosulfonyl-2-methyl-phenoxy)valeric acid Formula: C12H15ClO5S MolecularWeight: 306.7625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO5S/c1-9-8-10(19(13,16)17)5-6-11(9)18-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)