(E)-3-[2-[6-(oxan-2-yloxy)hex-1-ynyl]-6-oxidanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[6-(oxan-2-yloxy)hex-1-ynyl]-6-oxidanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-hydroxy-6-(6-tetrahydropyran-2-yloxyhex-1-ynyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-hydroxy-6-[6-(2-oxanyloxy)hex-1-ynyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-hydroxy-6-[6-(oxan-2-yloxy)hex-1-ynyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-hydroxy-6-(6-tetrahydropyran-2-yloxyhex-1-ynyl)phenyl]acrylic acid Formula: C20H24O5 MolecularWeight: 344.40156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCCC#CC2=C(C(=CC=C2)O)C=CC(=O)O

Isomeric SMILES

C1CCOC(C1)OCCCCC#CC2=C(C(=CC=C2)O)/C=C/C(=O)O

InChI

InChI=1S/C20H24O5/c21-18-10-7-9-16(17(18)12-13-19(22)23)8-3-1-2-5-14-24-20-11-4-6-15-25-20/h7,9-10,12-13,20-21H,1-2,4-6,11,14-15H2,(H,22,23)/b13-12+