(3E,7E)-3-ethoxycarbonyl-8-phenyl-octa-3,7-dien-5-ynoic acid

Systemtic Name: (3E,7E)-3-ethoxycarbonyl-8-phenyl-octa-3,7-dien-5-ynoic acid Openeye Name: (3E,7E)-3-ethoxycarbonyl-8-phenyl-octa-3,7-dien-5-ynoic acid CAS Name: (3E,7E)-3-ethoxycarbonyl-8-phenylocta-3,7-dien-5-ynoic acid IUPAC Name: (3E,7E)-3-ethoxycarbonyl-8-phenylocta-3,7-dien-5-ynoic acid Traditional Name: (3E,7E)-3-carbethoxy-8-phenyl-octa-3,7-dien-5-ynoic acid Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC#CC=CC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C#C/C=C/C1=CC=CC=C1)/CC(=O)O

InChI

InChI=1S/C17H16O4/c1-2-21-17(20)15(13-16(18)19)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-7,9-12H,2,13H2,1H3,(H,18,19)/b11-7+,15-12+