2-cyanoprop-2-enoic acid; hexadecyl 2-cyanoprop-2-enoate; 2-methoxyethanol

Systemtic Name: 2-cyanoprop-2-enoic acid; hexadecyl 2-cyanoprop-2-enoate; 2-methoxyethanol Openeye Name: 2-cyanoprop-2-enoic acid; hexadecyl 2-cyanoprop-2-enoate; 2-methoxyethanol CAS Name: 2-cyano-2-propenoic acid; 2-cyano-2-propenoic acid hexadecyl ester; 2-methoxyethanol IUPAC Name: 2-cyanoprop-2-enoic acid; hexadecyl 2-cyanoprop-2-enoate; 2-methoxyethanol Traditional Name: 2-cyanoacrylic acid; 2-cyanoacrylic acid cetyl ester; 2-methoxyethanol Formula: C27H46N2O6 MolecularWeight: 494.66394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=C)C#N.COCCO.C=C(C#N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(=C)C#N.COCCO.C=C(C#N)C(=O)O

InChI

InChI=1S/C20H35NO2.C4H3NO2.C3H8O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)19(2)18-21;1-3(2-5)4(6)7;1-5-3-2-4/h2-17H2,1H3;1H2,(H,6,7);4H,2-3H2,1H3