2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Openeye Name: 2-(p-tolylsulfonyloxymethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid CAS Name: 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Traditional Name: 2-(tosyloxymethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C17H17NO6S/c1-12-6-8-14(9-7-12)25(21,22)23-11-13-10-18(17(19)20)15-4-2-3-5-16(15)24-13/h2-9,13H,10-11H2,1H3,(H,19,20)