dimethyl (2S)-2-[(R)-1,3-benzodioxol-5-yl(oxidanyl)methyl]butanedioate

Systemtic Name: dimethyl (2S)-2-[(R)-1,3-benzodioxol-5-yl(oxidanyl)methyl]butanedioate Openeye Name: dimethyl (2S)-2-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]butanedioate CAS Name: (2S)-2-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]butanedioate Traditional Name: (2S)-2-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]succinic acid dimethyl ester Formula: C14H16O7 MolecularWeight: 296.27264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(C1=CC2=C(C=C1)OCO2)O)C(=O)OC

Isomeric SMILES

COC(=O)C[C@@H]([C@H](C1=CC2=C(C=C1)OCO2)O)C(=O)OC

InChI

InChI=1S/C14H16O7/c1-18-12(15)6-9(14(17)19-2)13(16)8-3-4-10-11(5-8)21-7-20-10/h3-5,9,13,16H,6-7H2,1-2H3/t9-,13-/m0/s1