4-(octylsulfanylcarbonylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(octylsulfanylcarbonylamino)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-(octylsulfanylcarbonylamino)benzoic acid CAS Name: 2-hydroxy-4-[[(octylthio)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-(octylsulfanylcarbonylamino)benzoic acid Traditional Name: 2-hydroxy-4-[(octylthio)carbonylamino]benzoic acid Formula: C16H23NO4S MolecularWeight: 325.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)NC1=CC(=C(C=C1)C(=O)O)O

Isomeric SMILES

CCCCCCCCSC(=O)NC1=CC(=C(C=C1)C(=O)O)O

InChI

InChI=1S/C16H23NO4S/c1-2-3-4-5-6-7-10-22-16(21)17-12-8-9-13(15(19)20)14(18)11-12/h8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20)