3,5-diisocyanato-4-methyl-benzenesulfonic acid

Systemtic Name: 3,5-diisocyanato-4-methyl-benzenesulfonic acid Openeye Name: 3,5-diisocyanato-4-methyl-benzenesulfonic acid CAS Name: 3,5-diisocyanato-4-methylbenzenesulfonic acid IUPAC Name: 3,5-diisocyanato-4-methylbenzenesulfonic acid Traditional Name: 3,5-diisocyanato-4-methyl-besylic acid Formula: C9H6N2O5S MolecularWeight: 254.21934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N=C=O)S(=O)(=O)O)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1N=C=O)S(=O)(=O)O)N=C=O

InChI

InChI=1S/C9H6N2O5S/c1-6-8(10-4-12)2-7(17(14,15)16)3-9(6)11-5-13/h2-3H,1H3,(H,14,15,16)