2-[(3-isocyanato-4-methyl-phenyl)carbamoyloxyperoxy]hexanoic acid

Systemtic Name: 2-[(3-isocyanato-4-methyl-phenyl)carbamoyloxyperoxy]hexanoic acid Openeye Name: 2-[(3-isocyanato-4-methyl-phenyl)carbamoyloxyperoxy]hexanoic acid CAS Name: 2-[(3-isocyanato-4-methylanilino)-oxomethoxy]dioxyhexanoic acid IUPAC Name: 2-[(3-isocyanato-4-methylphenyl)carbamoyloxyperoxy]hexanoic acid Traditional Name: 2-[(3-isocyanato-4-methyl-phenyl)carbamoyloxyperoxy]hexanoic acid Formula: C15H18N2O7 MolecularWeight: 338.31262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OOOC(=O)NC1=CC(=C(C=C1)C)N=C=O

Isomeric SMILES

CCCCC(C(=O)O)OOOC(=O)NC1=CC(=C(C=C1)C)N=C=O

InChI

InChI=1S/C15H18N2O7/c1-3-4-5-13(14(19)20)22-24-23-15(21)17-11-7-6-10(2)12(8-11)16-9-18/h6-8,13H,3-5H2,1-2H3,(H,17,21)(H,19,20)