3-[(2,4-dichlorophenyl)methyl]heptane-1-sulfonate

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl]heptane-1-sulfonate Openeye Name: 3-[(2,4-dichlorophenyl)methyl]heptane-1-sulfonate CAS Name: 3-[(2,4-dichlorophenyl)methyl]-1-heptanesulfonate IUPAC Name: 3-[(2,4-dichlorophenyl)methyl]heptane-1-sulfonate Traditional Name: 3-(2,4-dichlorobenzyl)heptane-1-sulfonate Formula: C14H19Cl2O3S- MolecularWeight: 338.26986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCS(=O)(=O)[O-])CC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCC(CCS(=O)(=O)[O-])CC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H20Cl2O3S/c1-2-3-4-11(7-8-20(17,18)19)9-12-5-6-13(15)10-14(12)16/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18,19)/p-1