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

Systemtic Name: [3-[3,5-bis(chloranyl)phenyl]phenyl] pentane-1-sulfonate Openeye Name: [3-(3,5-dichlorophenyl)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-(3,5-dichlorophenyl)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(3,5-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=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

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

InChI

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