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(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid

(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid

Systemtic Name:(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid
Openeye Name:(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid
CAS Name:(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid
IUPAC Name:(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid
Traditional Name:(2S,3S)-2,3-dipiperonylsuccinic acid
Formula: C20H18O8
MolecularWeight: 386.35212
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C(CC3=CC4=C(C=C3)OCO4)C(=O)O)C(=O)O


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[C@@H]([C@H](CC3=CC4=C(C=C3)OCO4)C(=O)O)C(=O)O


InChI

InChI=1S/C20H18O8/c21-19(22)13(5-11-1-3-15-17(7-11)27-9-25-15)14(20(23)24)6-12-2-4-16-18(8-12)28-10-26-16/h1-4,7-8,13-14H,5-6,9-10H2,(H,21,22)(H,23,24)/t13-,14-/m0/s1


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