(2S,3S)-2-but-2-ynyl-3-(phenylmethyl)butanedioic acid

Systemtic Name: (2S,3S)-2-but-2-ynyl-3-(phenylmethyl)butanedioic acid Openeye Name: (2S,3S)-2-benzyl-3-but-2-ynyl-butanedioic acid CAS Name: (2S,3S)-2-but-2-ynyl-3-(phenylmethyl)butanedioic acid IUPAC Name: (2S,3S)-2-benzyl-3-but-2-ynylbutanedioic acid Traditional Name: (2S,3S)-2-benzyl-3-but-2-ynyl-succinic acid Formula: C15H16O4 MolecularWeight: 260.28514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O4/c1-2-3-9-12(14(16)17)13(15(18)19)10-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m0/s1