3-(2,4-dichlorophenyl)-2-methyl-heptane-1-sulfonic acid

Systemtic Name: 3-(2,4-dichlorophenyl)-2-methyl-heptane-1-sulfonic acid Openeye Name: 3-(2,4-dichlorophenyl)-2-methyl-heptane-1-sulfonic acid CAS Name: 3-(2,4-dichlorophenyl)-2-methyl-1-heptanesulfonic acid IUPAC Name: 3-(2,4-dichlorophenyl)-2-methylheptane-1-sulfonic acid Traditional Name: 3-(2,4-dichlorophenyl)-2-methyl-heptane-1-sulfonic acid Formula: C14H20Cl2O3S MolecularWeight: 339.2778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=C(C=C1)Cl)Cl)C(C)CS(=O)(=O)O

Isomeric SMILES

CCCCC(C1=C(C=C(C=C1)Cl)Cl)C(C)CS(=O)(=O)O

InChI

InChI=1S/C14H20Cl2O3S/c1-3-4-5-12(10(2)9-20(17,18)19)13-7-6-11(15)8-14(13)16/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,18,19)