3-[(2S,4S,5R)-4-(2-hydroxyphenyl)-5-[(Z)-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-1,3-dioxan-2-yl]-4-(2-imidazol-1-ylethoxy)benzoic acid

Systemtic Name: 3-[(2S,4S,5R)-4-(2-hydroxyphenyl)-5-[(Z)-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-1,3-dioxan-2-yl]-4-(2-imidazol-1-ylethoxy)benzoic acid Openeye Name: 3-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxo-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]-4-(2-imidazol-1-ylethoxy)benzoic acid CAS Name: 3-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]-4-[2-(1-imidazolyl)ethoxy]benzoic acid IUPAC Name: 3-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]-4-(2-imidazol-1-ylethoxy)benzoic acid Traditional Name: 3-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-keto-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]-4-(2-imidazol-1-ylethoxy)benzoic acid Formula: C28H30N2O8 MolecularWeight: 522.5464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=C(C=CC(=C2)C(=O)O)OCCN3C=CN=C3)C4=CC=CC=C4O)CC=CCCC(=O)O

Isomeric SMILES

C1[C@H]([C@H](O[C@H](O1)C2=C(C=CC(=C2)C(=O)O)OCCN3C=CN=C3)C4=CC=CC=C4O)C/C=C\CCC(=O)O

InChI

InChI=1S/C28H30N2O8/c31-23-8-5-4-7-21(23)26-20(6-2-1-3-9-25(32)33)17-37-28(38-26)22-16-19(27(34)35)10-11-24(22)36-15-14-30-13-12-29-18-30/h1-2,4-5,7-8,10-13,16,18,20,26,28,31H,3,6,9,14-15,17H2,(H,32,33)(H,34,35)/b2-1-/t20-,26+,28+/m1/s1