(2S,3R)-2-[(3-carboxyphenyl)methyl]-3-oxidanyl-butanedioic acid

Systemtic Name: (2S,3R)-2-[(3-carboxyphenyl)methyl]-3-oxidanyl-butanedioic acid Openeye Name: (2S,3R)-2-[(3-carboxyphenyl)methyl]-3-hydroxy-butanedioic acid CAS Name: (2S,3R)-2-[(3-carboxyphenyl)methyl]-3-hydroxybutanedioic acid IUPAC Name: (2S,3R)-2-[(3-carboxyphenyl)methyl]-3-hydroxybutanedioic acid Traditional Name: (2S,3R)-2-(3-carboxybenzyl)-3-hydroxy-succinic acid Formula: C12H12O7 MolecularWeight: 268.21948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O7/c13-9(12(18)19)8(11(16)17)5-6-2-1-3-7(4-6)10(14)15/h1-4,8-9,13H,5H2,(H,14,15)(H,16,17)(H,18,19)/t8-,9+/m0/s1