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(2S)-2-pyrrol-1-ylbutanedioic acid

(2S)-2-pyrrol-1-ylbutanedioic acid

Systemtic Name:(2S)-2-pyrrol-1-ylbutanedioic acid
Openeye Name:(2S)-2-pyrrol-1-ylbutanedioic acid
CAS Name:(2S)-2-(1-pyrrolyl)butanedioic acid
IUPAC Name:(2S)-2-pyrrol-1-ylbutanedioic acid
Traditional Name:(2S)-2-pyrrol-1-ylsuccinic acid
Formula: C8H9NO4
MolecularWeight: 183.16136
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C(CC(=O)O)C(=O)O


Isomeric SMILES

C1=CN(C=C1)[C@@H](CC(=O)O)C(=O)O


InChI

InChI=1S/C8H9NO4/c10-7(11)5-6(8(12)13)9-3-1-2-4-9/h1-4,6H,5H2,(H,10,11)(H,12,13)/t6-/m0/s1


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