1-(3-isocyanatophenyl)ethanesulfonate

Systemtic Name: 1-(3-isocyanatophenyl)ethanesulfonate Openeye Name: 1-(3-isocyanatophenyl)ethanesulfonate CAS Name: 1-(3-isocyanatophenyl)ethanesulfonate IUPAC Name: 1-(3-isocyanatophenyl)ethanesulfonate Traditional Name: 1-(3-isocyanatophenyl)ethanesulfonate Formula: C9H8NO4S- MolecularWeight: 226.22912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N=C=O)S(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)N=C=O)S(=O)(=O)[O-]

InChI

InChI=1S/C9H9NO4S/c1-7(15(12,13)14)8-3-2-4-9(5-8)10-6-11/h2-5,7H,1H3,(H,12,13,14)/p-1