2-[4-(2-hydroxyethyloxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one

Systemtic Name: 2-[4-(2-hydroxyethyloxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one Openeye Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one CAS Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-oxepanone IUPAC Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one Traditional Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene; oxepan-2-one Formula: C31H34N2O8 MolecularWeight: 562.61026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)OCC1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC(=CC=C1OCCO)OCCO

Isomeric SMILES

C1CCC(=O)OCC1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC(=CC=C1OCCO)OCCO

InChI

InChI=1S/C15H10N2O2.C10H14O4.C6H10O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;7-6-4-2-1-3-5-8-6/h1-8H,9H2;1-4,11-12H,5-8H2;1-5H2