2,4-diisocyanato-5-methyl-benzenesulfonic acid

Systemtic Name: 2,4-diisocyanato-5-methyl-benzenesulfonic acid Openeye Name: 2,4-diisocyanato-5-methyl-benzenesulfonic acid CAS Name: 2,4-diisocyanato-5-methylbenzenesulfonic acid IUPAC Name: 2,4-diisocyanato-5-methylbenzenesulfonic acid Traditional Name: 2,4-diisocyanato-5-methyl-besylic acid Formula: C9H6N2O5S MolecularWeight: 254.21934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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