benzenesulfonic acid; (phenylmethyl) (2R)-2-azanyl-3-oxidanyl-propanoate

Systemtic Name: benzenesulfonic acid; (phenylmethyl) (2R)-2-azanyl-3-oxidanyl-propanoate Openeye Name: benzenesulfonic acid; benzyl (2R)-2-amino-3-hydroxy-propanoate CAS Name: (2R)-2-amino-3-hydroxypropanoic acid (phenylmethyl) ester; benzenesulfonic acid IUPAC Name: benzenesulfonic acid; benzyl (2R)-2-amino-3-hydroxypropanoate Traditional Name: (2R)-2-amino-3-hydroxy-propionic acid benzyl ester; besylic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CO)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](CO)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H13NO3.C6H6O3S/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;7-10(8,9)6-4-2-1-3-5-6/h1-5,9,12H,6-7,11H2;1-5H,(H,7,8,9)/t9-;/m1./s1