[(1R)-1-phenylethyl]azanium; (2S)-2-(phenylmethyl)butanedioate

Systemtic Name: [(1R)-1-phenylethyl]azanium; (2S)-2-(phenylmethyl)butanedioate Openeye Name: (2S)-2-benzylbutanedioate; [(1R)-1-phenylethyl]ammonium CAS Name: [(1R)-1-phenylethyl]ammonium; (2S)-2-(phenylmethyl)butanedioate IUPAC Name: (2S)-2-benzylbutanedioate; [(1R)-1-phenylethyl]azanium Traditional Name: (2S)-2-benzylsuccinate; [(1R)-1-phenylethyl]ammonium Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH3+].CC(C1=CC=CC=C1)[NH3+].C1=CC=C(C=C1)CC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH3+].C[C@H](C1=CC=CC=C1)[NH3+].C1=CC=C(C=C1)C[C@@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H12O4.2C8H11N/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8;2*1-7(9)8-5-3-2-4-6-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15);2*2-7H,9H2,1H3/t9-;2*7-/m011/s1