2-[(1S,2S,3R,4R,6R)-4-acetyloxy-6-ethenyl-3-methoxy-2-methoxycarbonyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1S,2S,3R,4R,6R)-4-acetyloxy-6-ethenyl-3-methoxy-2-methoxycarbonyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(1S,2S,3R,4R,6R)-4-acetoxy-3-methoxy-2-methoxycarbonyl-6-vinyl-cyclohexyl]acetic acid CAS Name: 2-[(1S,2S,3R,4R,6R)-4-acetyloxy-6-ethenyl-3-methoxy-2-methoxycarbonylcyclohexyl]acetic acid IUPAC Name: 2-[(1S,2S,3R,4R,6R)-4-acetyloxy-6-ethenyl-3-methoxy-2-methoxycarbonylcyclohexyl]acetic acid Traditional Name: 2-[(1S,2S,3R,4R,6R)-4-acetoxy-2-carbomethoxy-3-methoxy-6-vinyl-cyclohexyl]acetic acid Formula: C15H22O7 MolecularWeight: 314.33098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(C(C1OC)C(=O)OC)CC(=O)O)C=C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]([C@@H]([C@@H]([C@H]1OC)C(=O)OC)CC(=O)O)C=C

InChI

InChI=1S/C15H22O7/c1-5-9-6-11(22-8(2)16)14(20-3)13(15(19)21-4)10(9)7-12(17)18/h5,9-11,13-14H,1,6-7H2,2-4H3,(H,17,18)/t9-,10-,11+,13-,14-/m0/s1