1-[4-aminocarbonyl-3,5-bis(chloranyl)-2-oxidanyl-phenyl]octane-1-sulfonic acid

Systemtic Name: 1-[4-aminocarbonyl-3,5-bis(chloranyl)-2-oxidanyl-phenyl]octane-1-sulfonic acid Openeye Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxy-phenyl)octane-1-sulfonic acid CAS Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxyphenyl)-1-octanesulfonic acid IUPAC Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxyphenyl)octane-1-sulfonic acid Traditional Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxy-phenyl)octane-1-sulfonic acid Formula: C15H21Cl2NO5S MolecularWeight: 398.30194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl)S(=O)(=O)O

InChI

InChI=1S/C15H21Cl2NO5S/c1-2-3-4-5-6-7-11(24(21,22)23)9-8-10(16)12(15(18)20)13(17)14(9)19/h8,11,19H,2-7H2,1H3,(H2,18,20)(H,21,22,23)