(2Z,4E,6E)-4-butyl-3-methyl-2-(2-octoxyphenyl)octa-2,4,6-trienoic acid

Systemtic Name: (2Z,4E,6E)-4-butyl-3-methyl-2-(2-octoxyphenyl)octa-2,4,6-trienoic acid Openeye Name: (2Z,4E,6E)-4-butyl-3-methyl-2-(2-octoxyphenyl)octa-2,4,6-trienoic acid CAS Name: (2Z,4E,6E)-4-butyl-3-methyl-2-(2-octoxyphenyl)octa-2,4,6-trienoic acid IUPAC Name: (2Z,4E,6E)-4-butyl-3-methyl-2-(2-octoxyphenyl)octa-2,4,6-trienoic acid Traditional Name: (2Z,4E,6E)-4-butyl-3-methyl-2-(2-octoxyphenyl)octa-2,4,6-trienoic acid Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C(=C(C)C(=CC=CC)CCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1/C(=C(\C)/C(=C/C=C/C)/CCCC)/C(=O)O

InChI

InChI=1S/C27H40O3/c1-5-8-11-12-13-16-21-30-25-20-15-14-19-24(25)26(27(28)29)22(4)23(17-9-6-2)18-10-7-3/h6,9,14-15,17,19-20H,5,7-8,10-13,16,18,21H2,1-4H3,(H,28,29)/b9-6+,23-17+,26-22-