(2S,3S)-2-[(E)-pent-2-enyl]-3-(phenylmethyl)butanedioic acid

Systemtic Name: (2S,3S)-2-[(E)-pent-2-enyl]-3-(phenylmethyl)butanedioic acid Openeye Name: (2S,3S)-2-benzyl-3-[(E)-pent-2-enyl]butanedioic acid CAS Name: (2S,3S)-2-[(E)-pent-2-enyl]-3-(phenylmethyl)butanedioic acid IUPAC Name: (2S,3S)-2-benzyl-3-[(E)-pent-2-enyl]butanedioic acid Traditional Name: (2S,3S)-2-benzyl-3-[(E)-pent-2-enyl]succinic acid Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C(CC1=CC=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC/C=C/C[C@@H]([C@H](CC1=CC=CC=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H20O4/c1-2-3-5-10-13(15(17)18)14(16(19)20)11-12-8-6-4-7-9-12/h3-9,13-14H,2,10-11H2,1H3,(H,17,18)(H,19,20)/b5-3+/t13-,14-/m0/s1