3-(dihexylsulfamoyl)-4-sulfanyl-benzoic acid

Systemtic Name: 3-(dihexylsulfamoyl)-4-sulfanyl-benzoic acid Openeye Name: 3-(dihexylsulfamoyl)-4-sulfanyl-benzoic acid CAS Name: 3-(dihexylsulfamoyl)-4-mercaptobenzoic acid IUPAC Name: 3-(dihexylsulfamoyl)-4-sulfanylbenzoic acid Traditional Name: 3-(dihexylsulfamoyl)-4-mercapto-benzoic acid Formula: C19H31NO4S2 MolecularWeight: 401.58374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S

Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S

InChI

InChI=1S/C19H31NO4S2/c1-3-5-7-9-13-20(14-10-8-6-4-2)26(23,24)18-15-16(19(21)22)11-12-17(18)25/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,21,22)