2-oxidanylidene-2-[[3-[2-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[[3-[2-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]phenyl]amino]ethanoic acid Openeye Name: 2-oxo-2-[3-[2-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]anilino]acetic acid CAS Name: 2-oxo-2-[3-[2-[[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]phenyl]anilino]acetic acid IUPAC Name: 2-oxo-2-[3-[2-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]anilino]acetic acid Traditional Name: 2-keto-2-[3-[2-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]anilino]acetic acid Formula: C28H29NO13 MolecularWeight: 587.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2C3=CC(=CC=C3)NC(=O)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=CC=CC=C2C3=CC(=CC=C3)NC(=O)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H29NO13/c1-14(30)37-13-22-23(38-15(2)31)24(39-16(3)32)25(40-17(4)33)28(42-22)41-21-11-6-5-10-20(21)18-8-7-9-19(12-18)29-26(34)27(35)36/h5-12,22-25,28H,13H2,1-4H3,(H,29,34)(H,35,36)/t22-,23-,24+,25+,28+/m1/s1