3,4-bis(oxidanyl)butanoate; [(1R)-1-(4-methylphenyl)ethyl]azanium

Systemtic Name: 3,4-bis(oxidanyl)butanoate; [(1R)-1-(4-methylphenyl)ethyl]azanium Openeye Name: 3,4-dihydroxybutanoate; [(1R)-1-(p-tolyl)ethyl]ammonium CAS Name: 3,4-dihydroxybutanoate; [(1R)-1-(4-methylphenyl)ethyl]ammonium IUPAC Name: 3,4-dihydroxybutanoate; [(1R)-1-(4-methylphenyl)ethyl]azanium Traditional Name: 3,4-dihydroxybutyrate; [(1R)-1-(p-tolyl)ethyl]ammonium Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)[NH3+].C(C(CO)O)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C)[NH3+].C(C(CO)O)C(=O)[O-]

InChI

InChI=1S/C9H13N.C4H8O4/c1-7-3-5-9(6-4-7)8(2)10;5-2-3(6)1-4(7)8/h3-6,8H,10H2,1-2H3;3,5-6H,1-2H2,(H,7,8)/t8-;/m1./s1