3-[(1E,3E)-1-(3,4-dipentoxyphenyl)-5-oxidanyl-5-oxidanylidene-penta-1,3-dien-2-yl]benzoic acid

Systemtic Name: 3-[(1E,3E)-1-(3,4-dipentoxyphenyl)-5-oxidanyl-5-oxidanylidene-penta-1,3-dien-2-yl]benzoic acid Openeye Name: 3-[(E,1E)-1-[(3,4-dipentoxyphenyl)methylene]-4-hydroxy-4-oxo-but-2-enyl]benzoic acid CAS Name: 3-[(1E,3E)-1-(3,4-dipentoxyphenyl)-5-hydroxy-5-oxopenta-1,3-dien-2-yl]benzoic acid IUPAC Name: 3-[(1E,3E)-1-(3,4-dipentoxyphenyl)-5-hydroxy-5-oxopenta-1,3-dien-2-yl]benzoic acid Traditional Name: 3-[(E,1E)-1-(3,4-diamoxybenzylidene)-4-hydroxy-4-keto-but-2-enyl]benzoic acid Formula: C28H34O6 MolecularWeight: 466.56596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C=CC(=O)O)C2=CC(=CC=C2)C(=O)O)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)/C=C(\C=C\C(=O)O)/C2=CC(=CC=C2)C(=O)O)OCCCCC

InChI

InChI=1S/C28H34O6/c1-3-5-7-16-33-25-14-12-21(19-26(25)34-17-8-6-4-2)18-23(13-15-27(29)30)22-10-9-11-24(20-22)28(31)32/h9-15,18-20H,3-8,16-17H2,1-2H3,(H,29,30)(H,31,32)/b15-13+,23-18+