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

Systemtic Name: 3-(octylsulfanylcarbonylamino)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-(octylsulfanylcarbonylamino)benzoic acid CAS Name: 2-hydroxy-3-[[(octylthio)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-(octylsulfanylcarbonylamino)benzoic acid Traditional Name: 2-hydroxy-3-[(octylthio)carbonylamino]benzoic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)NC1=CC=CC(=C1O)C(=O)O

Isomeric SMILES

CCCCCCCCSC(=O)NC1=CC=CC(=C1O)C(=O)O

InChI

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