propyl 3-bromanyl-2-isocyanatosulfonyl-benzoate

Systemtic Name: propyl 3-bromanyl-2-isocyanatosulfonyl-benzoate Openeye Name: propyl 3-bromo-2-isocyanatosulfonyl-benzoate CAS Name: 3-bromo-2-isocyanatosulfonylbenzoic acid propyl ester IUPAC Name: propyl 3-bromo-2-isocyanatosulfonylbenzoate Traditional Name: 3-bromo-2-isocyanatosulfonyl-benzoic acid propyl ester Formula: C11H10BrNO5S MolecularWeight: 348.1698

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CC=C1)Br)S(=O)(=O)N=C=O

Isomeric SMILES

CCCOC(=O)C1=C(C(=CC=C1)Br)S(=O)(=O)N=C=O

InChI

InChI=1S/C11H10BrNO5S/c1-2-6-18-11(15)8-4-3-5-9(12)10(8)19(16,17)13-7-14/h3-5H,2,6H2,1H3