prop-2-ynyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: prop-2-ynyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: prop-2-ynyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid propargyl ester Formula: C12H10O4 MolecularWeight: 218.2054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O4/c1-2-7-16-12(15)6-4-9-3-5-10(13)11(14)8-9/h1,3-6,8,13-14H,7H2/b6-4+