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

Systemtic Name: methyl (1R,3R,4S,5R)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexanecarboxylate CAS Name: (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate Traditional Name: (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-cyclohexanecarboxylic acid methyl ester Formula: C17H20O8 MolecularWeight: 352.3359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@]1(C[C@H]([C@@H]([C@@H](C1)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O)O

InChI

InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(21)13(9-17)25-14(20)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-19,21,23H,8-9H2,1H3/b7-4+/t12-,13-,15+,17-/m1/s1