2-[(1E,3E,6E)-pentadeca-1,3,6-trienoxy]benzoic acid; 1-propoxypropane

Systemtic Name: 2-[(1E,3E,6E)-pentadeca-1,3,6-trienoxy]benzoic acid; 1-propoxypropane Openeye Name: 2-[(1E,3E,6E)-pentadeca-1,3,6-trienoxy]benzoic acid; 1-propoxypropane CAS Name: 2-[(1E,3E,6E)-pentadeca-1,3,6-trienoxy]benzoic acid; 1-propoxypropane IUPAC Name: 2-[(1E,3E,6E)-pentadeca-1,3,6-trienoxy]benzoic acid; 1-propoxypropane Traditional Name: 2-[(1E,3E,6E)-pentadeca-1,3,6-trienoxy]benzoic acid; 1-propoxypropane Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCC=CC=COC1=CC=CC=C1C(=O)O.CCCOCCC

Isomeric SMILES

CCCCCCCC/C=C/C/C=C/C=C/OC1=CC=CC=C1C(=O)O.CCCOCCC

InChI

InChI=1S/C22H30O3.C6H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-25-21-18-15-14-17-20(21)22(23)24;1-3-5-7-6-4-2/h9-10,12-19H,2-8,11H2,1H3,(H,23,24);3-6H2,1-2H3/b10-9+,13-12+,19-16+;