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

Systemtic Name: (2E,4E,6E)-7-(4-butylsulfanylphenyl)-2-cyano-hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-7-(4-butylsulfanylphenyl)-2-cyano-hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-7-[4-(butylthio)phenyl]-2-cyanohepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-7-(4-butylsulfanylphenyl)-2-cyanohepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-7-[4-(butylthio)phenyl]-2-cyano-hepta-2,4,6-trienoic acid Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C=CC=CC=C(C#N)C(=O)O

Isomeric SMILES

CCCCSC1=CC=C(C=C1)/C=C/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C18H19NO2S/c1-2-3-13-22-17-11-9-15(10-12-17)7-5-4-6-8-16(14-19)18(20)21/h4-12H,2-3,13H2,1H3,(H,20,21)/b6-4+,7-5+,16-8+