[4-aminocarbonyl-2,6-bis(chloranyl)phenyl] octane-1-sulfonate

Systemtic Name: [4-aminocarbonyl-2,6-bis(chloranyl)phenyl] octane-1-sulfonate Openeye Name: (4-carbamoyl-2,6-dichloro-phenyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (4-carbamoyl-2,6-dichlorophenyl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (4-carbamoyl-2,6-dichloro-phenyl) ester Formula: C15H21Cl2NO4S MolecularWeight: 382.30254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=C(C=C(C=C1Cl)C(=O)N)Cl

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=C(C=C(C=C1Cl)C(=O)N)Cl

InChI

InChI=1S/C15H21Cl2NO4S/c1-2-3-4-5-6-7-8-23(20,21)22-14-12(16)9-11(15(18)19)10-13(14)17/h9-10H,2-8H2,1H3,(H2,18,19)