hexadecyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoate

Systemtic Name: hexadecyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoate Openeye Name: hexadecyl (E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(4-bromophenyl)-2-furanyl]-2-cyano-2-propenoic acid hexadecyl ester IUPAC Name: hexadecyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-acrylic acid cetyl ester Formula: C30H40BrNO3 MolecularWeight: 542.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)Br)/C#N

InChI

InChI=1S/C30H40BrNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-34-30(33)26(24-32)23-28-20-21-29(35-28)25-16-18-27(31)19-17-25/h16-21,23H,2-15,22H2,1H3/b26-23+