[3-[3-(dimethylamino)phenyl]phenyl] pentane-1-sulfonate

Systemtic Name: [3-[3-(dimethylamino)phenyl]phenyl] pentane-1-sulfonate Openeye Name: [3-[3-(dimethylamino)phenyl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-[3-(dimethylamino)phenyl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-[3-(dimethylamino)phenyl]phenyl] ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3S/c1-4-5-6-13-24(21,22)23-19-12-8-10-17(15-19)16-9-7-11-18(14-16)20(2)3/h7-12,14-15H,4-6,13H2,1-3H3