1,6-diisocyanatohexane; 2-hydroxyethyl prop-2-enoate; oxepan-2-one

Systemtic Name: 1,6-diisocyanatohexane; 2-hydroxyethyl prop-2-enoate; oxepan-2-one Openeye Name: 1,6-diisocyanatohexane; 2-hydroxyethyl prop-2-enoate; oxepan-2-one CAS Name: 1,6-diisocyanatohexane; 2-oxepanone; 2-propenoic acid 2-hydroxyethyl ester IUPAC Name: 1,6-diisocyanatohexane; 2-hydroxyethyl prop-2-enoate; oxepan-2-one Traditional Name: acrylic acid 2-hydroxyethyl ester; 1,6-diisocyanatohexane; oxepan-2-one Formula: C19H30N2O7 MolecularWeight: 398.4507

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCO.C1CCC(=O)OCC1.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

C=CC(=O)OCCO.C1CCC(=O)OCC1.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C8H12N2O2.C6H10O2.C5H8O3/c11-7-9-5-3-1-2-4-6-10-8-12;7-6-4-2-1-3-5-8-6;1-2-5(7)8-4-3-6/h1-6H2;1-5H2;2,6H,1,3-4H2