[3-(3-chloranyl-2-nitro-phenyl)phenyl] pentane-1-sulfonate

Systemtic Name: [3-(3-chloranyl-2-nitro-phenyl)phenyl] pentane-1-sulfonate Openeye Name: [3-(3-chloro-2-nitro-phenyl)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-(3-chloro-2-nitrophenyl)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(3-chloro-2-nitro-phenyl)phenyl] ester Formula: C17H18ClNO5S MolecularWeight: 383.84652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClNO5S/c1-2-3-4-11-25(22,23)24-14-8-5-7-13(12-14)15-9-6-10-16(18)17(15)19(20)21/h5-10,12H,2-4,11H2,1H3