5-(2-hexylsulfanylethoxycarbonylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-hexylsulfanylethoxycarbonylamino)-2-oxidanyl-benzoic acid Openeye Name: 5-(2-hexylsulfanylethoxycarbonylamino)-2-hydroxy-benzoic acid CAS Name: 5-[[2-(hexylthio)ethoxy-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-(2-hexylsulfanylethoxycarbonylamino)-2-hydroxybenzoic acid Traditional Name: 5-[2-(hexylthio)ethoxycarbonylamino]-2-hydroxy-benzoic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-2-3-4-5-9-23-10-8-22-16(21)17-12-6-7-14(18)13(11-12)15(19)20/h6-7,11,18H,2-5,8-10H2,1H3,(H,17,21)(H,19,20)