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(2S)-2-(phenylmethyl)butanedioic acid

(2S)-2-(phenylmethyl)butanedioic acid

Systemtic Name:(2S)-2-(phenylmethyl)butanedioic acid
Openeye Name:(2S)-2-benzylbutanedioic acid
CAS Name:(2S)-2-(phenylmethyl)butanedioic acid
IUPAC Name:(2S)-2-benzylbutanedioic acid
Traditional Name:(2S)-2-benzylsuccinic acid
Formula: C11H12O4
MolecularWeight: 208.21058
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1


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