[3-(2-chloranylphenoxy)phenyl] pentane-1-sulfonate

Systemtic Name: [3-(2-chloranylphenoxy)phenyl] pentane-1-sulfonate Openeye Name: [3-(2-chlorophenoxy)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-(2-chlorophenoxy)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(2-chlorophenoxy)phenyl] ester Formula: C17H19ClO4S MolecularWeight: 354.84836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC=C2Cl

InChI

InChI=1S/C17H19ClO4S/c1-2-3-6-12-23(19,20)22-15-9-7-8-14(13-15)21-17-11-5-4-10-16(17)18/h4-5,7-11,13H,2-3,6,12H2,1H3