[3-[2,5-bis(chloranyl)phenyl]phenyl] pentane-1-sulfonate

Systemtic Name: [3-[2,5-bis(chloranyl)phenyl]phenyl] pentane-1-sulfonate Openeye Name: [3-(2,5-dichlorophenyl)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-(2,5-dichlorophenyl)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(2,5-dichlorophenyl)phenyl] ester Formula: C17H18Cl2O3S MolecularWeight: 373.29402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H18Cl2O3S/c1-2-3-4-10-23(20,21)22-15-7-5-6-13(11-15)16-12-14(18)8-9-17(16)19/h5-9,11-12H,2-4,10H2,1H3