4-azido-3-methoxy-5-oxidanyl-6-phenylsulfanyl-oxane-2-carboxylic acid

Systemtic Name: 4-azido-3-methoxy-5-oxidanyl-6-phenylsulfanyl-oxane-2-carboxylic acid Openeye Name: 4-azido-5-hydroxy-3-methoxy-6-phenylsulfanyl-tetrahydropyran-2-carboxylic acid CAS Name: 4-azido-5-hydroxy-3-methoxy-6-(phenylthio)-2-oxanecarboxylic acid IUPAC Name: 4-azido-5-hydroxy-3-methoxy-6-phenylsulfanyloxane-2-carboxylic acid Traditional Name: 4-azido-5-hydroxy-3-methoxy-6-(phenylthio)tetrahydropyran-2-carboxylic acid Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(OC1C(=O)O)SC2=CC=CC=C2)O)N=[N+]=[N-]

Isomeric SMILES

COC1C(C(C(OC1C(=O)O)SC2=CC=CC=C2)O)N=[N+]=[N-]

InChI

InChI=1S/C13H15N3O5S/c1-20-10-8(15-16-14)9(17)13(21-11(10)12(18)19)22-7-5-3-2-4-6-7/h2-6,8-11,13,17H,1H3,(H,18,19)