propyl 2-isocyanatosulfonyl-3-methyl-benzoate

Systemtic Name: propyl 2-isocyanatosulfonyl-3-methyl-benzoate Openeye Name: propyl 2-isocyanatosulfonyl-3-methyl-benzoate CAS Name: 2-isocyanatosulfonyl-3-methylbenzoic acid propyl ester IUPAC Name: propyl 2-isocyanatosulfonyl-3-methylbenzoate Traditional Name: 2-isocyanatosulfonyl-3-methyl-benzoic acid propyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-3-7-18-12(15)10-6-4-5-9(2)11(10)19(16,17)13-8-14/h4-6H,3,7H2,1-2H3