4-[[(2R,3S,5S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]amino]benzoic acid

Systemtic Name: 4-[[(2R,3S,5S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]amino]benzoic acid Openeye Name: 4-[[(2R,3S,5S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]amino]benzoic acid CAS Name: 4-[[(2R,3S,5S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]amino]benzoic acid IUPAC Name: 4-[[(2R,3S,5S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]amino]benzoic acid Traditional Name: 4-[[(2R,3S,5S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]amino]benzoic acid Formula: C19H23NO9 MolecularWeight: 409.38722

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)NC2=CC=C(C=C2)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1[C@@H](C([C@@H]([C@@H](O1)NC2=CC=C(C=C2)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H23NO9/c1-9-15(27-10(2)21)16(28-11(3)22)17(29-12(4)23)18(26-9)20-14-7-5-13(6-8-14)19(24)25/h5-9,15-18,20H,1-4H3,(H,24,25)/t9?,15-,16?,17-,18+/m0/s1