1,6-diisocyanatohexane; 2-(phenoxymethyl)oxirane; prop-2-enoic acid

Systemtic Name: 1,6-diisocyanatohexane; 2-(phenoxymethyl)oxirane; prop-2-enoic acid Openeye Name: acrylic acid; 1,6-diisocyanatohexane; 2-(phenoxymethyl)oxirane CAS Name: 1,6-diisocyanatohexane; 2-(phenoxymethyl)oxirane; 2-propenoic acid IUPAC Name: 1,6-diisocyanatohexane; 2-(phenoxymethyl)oxirane; prop-2-enoic acid Traditional Name: acrylic acid; 1,6-diisocyanatohexane; 2-(phenoxymethyl)oxirane Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)O.C1C(O1)COC2=CC=CC=C2.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

C=CC(=O)O.C1C(O1)COC2=CC=CC=C2.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C9H10O2.C8H12N2O2.C3H4O2/c1-2-4-8(5-3-1)10-6-9-7-11-9;11-7-9-5-3-1-2-4-6-10-8-12;1-2-3(4)5/h1-5,9H,6-7H2;1-6H2;2H,1H2,(H,4,5)