2-isocyanato-5-[(4-isocyanatophenyl)methyl]benzenesulfonic acid

Systemtic Name: 2-isocyanato-5-[(4-isocyanatophenyl)methyl]benzenesulfonic acid Openeye Name: 2-isocyanato-5-[(4-isocyanatophenyl)methyl]benzenesulfonic acid CAS Name: 2-isocyanato-5-[(4-isocyanatophenyl)methyl]benzenesulfonic acid IUPAC Name: 2-isocyanato-5-[(4-isocyanatophenyl)methyl]benzenesulfonic acid Traditional Name: 2-isocyanato-5-(4-isocyanatobenzyl)besylic acid Formula: C15H10N2O5S MolecularWeight: 330.3153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)N=C=O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=C(C=C2)N=C=O)S(=O)(=O)O)N=C=O

InChI

InChI=1S/C15H10N2O5S/c18-9-16-13-4-1-11(2-5-13)7-12-3-6-14(17-10-19)15(8-12)23(20,21)22/h1-6,8H,7H2,(H,20,21,22)