(4-methylphenyl) sulfite; (phenylmethyl) 2-azanylbutanoate

Systemtic Name: (4-methylphenyl) sulfite; (phenylmethyl) 2-azanylbutanoate Openeye Name: benzyl 2-aminobutanoate; p-tolyl sulfite CAS Name: 2-aminobutanoic acid (phenylmethyl) ester; (4-methylphenyl) sulfite IUPAC Name: benzyl 2-aminobutanoate; (4-methylphenyl) sulfite Traditional Name: 2-aminobutyric acid benzyl ester; p-tolyl sulfite Formula: C18H22NO5S- MolecularWeight: 364.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)OS(=O)[O-]

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)OS(=O)[O-]

InChI

InChI=1S/C11H15NO2.C7H8O3S/c1-2-10(12)11(13)14-8-9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)10-11(8)9/h3-7,10H,2,8,12H2,1H3;2-5H,1H3,(H,8,9)/p-1