5-isocyanato-2-methyl-benzenesulfonic acid

Systemtic Name: 5-isocyanato-2-methyl-benzenesulfonic acid Openeye Name: 5-isocyanato-2-methyl-benzenesulfonic acid CAS Name: 5-isocyanato-2-methylbenzenesulfonic acid IUPAC Name: 5-isocyanato-2-methylbenzenesulfonic acid Traditional Name: 5-isocyanato-2-methyl-besylic acid Formula: C8H7NO4S MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N=C=O)S(=O)(=O)O

InChI

InChI=1S/C8H7NO4S/c1-6-2-3-7(9-5-10)4-8(6)14(11,12)13/h2-4H,1H3,(H,11,12,13)