dimethyl 2-[(2S,8S,8aS)-8-methoxycarbonyl-6,7,8,8a-tetrahydro-2H-chromen-2-yl]propanedioate

Systemtic Name: dimethyl 2-[(2S,8S,8aS)-8-methoxycarbonyl-6,7,8,8a-tetrahydro-2H-chromen-2-yl]propanedioate Openeye Name: dimethyl 2-[(2S,8S,8aS)-8-methoxycarbonyl-6,7,8,8a-tetrahydro-2H-chromen-2-yl]propanedioate CAS Name: 2-[(2S,8S,8aS)-8-methoxycarbonyl-6,7,8,8a-tetrahydro-2H-1-benzopyran-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2S,8S,8aS)-8-methoxycarbonyl-6,7,8,8a-tetrahydro-2H-chromen-2-yl]propanedioate Traditional Name: 2-[(2S,8S,8aS)-8-carbomethoxy-6,7,8,8a-tetrahydro-2H-chromen-2-yl]malonic acid dimethyl ester Formula: C16H20O7 MolecularWeight: 324.3258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC=C2C1OC(C=C2)C(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1CCC=C2[C@H]1O[C@@H](C=C2)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H20O7/c1-20-14(17)10-6-4-5-9-7-8-11(23-13(9)10)12(15(18)21-2)16(19)22-3/h5,7-8,10-13H,4,6H2,1-3H3/t10-,11-,13+/m0/s1