(2S)-2-oxidanyl-3-[(E)-3-phenylprop-2-enyl]butanedioic acid

Systemtic Name: (2S)-2-oxidanyl-3-[(E)-3-phenylprop-2-enyl]butanedioic acid Openeye Name: (3S)-2-[(E)-cinnamyl]-3-hydroxy-butanedioic acid CAS Name: (2S)-2-hydroxy-3-[(E)-3-phenylprop-2-enyl]butanedioic acid IUPAC Name: (2S)-2-hydroxy-3-[(E)-3-phenylprop-2-enyl]butanedioic acid Traditional Name: (3S)-2-[(E)-cinnamyl]-3-hydroxy-succinic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5/c14-11(13(17)18)10(12(15)16)8-4-7-9-5-2-1-3-6-9/h1-7,10-11,14H,8H2,(H,15,16)(H,17,18)/b7-4+/t10?,11-/m0/s1