(2E,4E,6E)-7-(4-butanoyloxyphenyl)-2-cyano-hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-7-(4-butanoyloxyphenyl)-2-cyano-hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-7-(4-butanoyloxyphenyl)-2-cyano-hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-2-cyano-7-[4-(1-oxobutoxy)phenyl]hepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-7-(4-butanoyloxyphenyl)-2-cyanohepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-7-(4-butyryloxyphenyl)-2-cyano-hepta-2,4,6-trienoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C=CC=CC=C(C#N)C(=O)O

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)/C=C/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C18H17NO4/c1-2-6-17(20)23-16-11-9-14(10-12-16)7-4-3-5-8-15(13-19)18(21)22/h3-5,7-12H,2,6H2,1H3,(H,21,22)/b5-3+,7-4+,15-8+