1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-morpholin-4-ylethanesulfonic acid

Systemtic Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-morpholin-4-ylethanesulfonic acid Openeye Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-morpholinoethanesulfonic acid CAS Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-(4-morpholinyl)ethanesulfonic acid IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-morpholin-4-ylethanesulfonic acid Traditional Name: 1-isocyanato-4-(4-isocyanatobenzyl)benzene; 2-morpholinoethanesulfonic acid Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCS(=O)(=O)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

Isomeric SMILES

C1COCCN1CCS(=O)(=O)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

InChI

InChI=1S/C15H10N2O2.C6H13NO4S/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;8-12(9,10)6-3-7-1-4-11-5-2-7/h1-8H,9H2;1-6H2,(H,8,9,10)