[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] 4-azanylbenzoate

Systemtic Name: [(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] 4-azanylbenzoate Openeye Name: [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(=O)C2=CC=C(C=C2)N)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC=C(C=C2)N)O)O)O

InChI

InChI=1S/C13H17NO6/c1-6-9(15)10(16)11(17)13(19-6)20-12(18)7-2-4-8(14)5-3-7/h2-6,9-11,13,15-17H,14H2,1H3/t6-,9-,10+,11+,13-/m0/s1