methyl (1S,4S,5R)-4,5-bis(oxidanyl)-1-phenylmethoxycarbonyloxy-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S,4S,5R)-4,5-bis(oxidanyl)-1-phenylmethoxycarbonyloxy-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S,4S,5R)-1-benzyloxycarbonyloxy-4,5-dihydroxy-cyclohex-2-ene-1-carboxylate CAS Name: (1S,4S,5R)-4,5-dihydroxy-1-phenylmethoxycarbonyloxy-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4S,5R)-4,5-dihydroxy-1-phenylmethoxycarbonyloxycyclohex-2-ene-1-carboxylate Traditional Name: (1S,4S,5R)-1-carbobenzoxyoxy-4,5-dihydroxy-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C16H18O7 MolecularWeight: 322.30992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(C=C1)O)O)OC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@]1(C[C@H]([C@H](C=C1)O)O)OC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18O7/c1-21-14(19)16(8-7-12(17)13(18)9-16)23-15(20)22-10-11-5-3-2-4-6-11/h2-8,12-13,17-18H,9-10H2,1H3/t12-,13+,16+/m0/s1