methyl (3R,5R)-1,3,5-tris(oxidanyl)-4-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexane-1-carboxylate

Systemtic Name: methyl (3R,5R)-1,3,5-tris(oxidanyl)-4-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexane-1-carboxylate Openeye Name: methyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexanecarboxylate CAS Name: (3R,5R)-1,3,5-trihydroxy-4-[(E)-1-oxo-3-phenylprop-2-enoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylate Traditional Name: (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-phenylacryloyl]oxy-cyclohexanecarboxylic acid methyl ester Formula: C17H20O7 MolecularWeight: 336.3365

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(C(C1)O)OC(=O)C=CC2=CC=CC=C2)O)O

Isomeric SMILES

COC(=O)C1(C[C@H](C([C@@H](C1)O)OC(=O)/C=C/C2=CC=CC=C2)O)O

InChI

InChI=1S/C17H20O7/c1-23-16(21)17(22)9-12(18)15(13(19)10-17)24-14(20)8-7-11-5-3-2-4-6-11/h2-8,12-13,15,18-19,22H,9-10H2,1H3/b8-7+/t12-,13-,15?,17?/m1/s1