phenethyl (E)-3-[3,4,5-tris(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: phenethyl (E)-3-[3,4,5-tris(oxidanyl)phenyl]prop-2-enoate Openeye Name: phenethyl (E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trihydroxyphenyl)-2-propenoic acid phenethyl ester IUPAC Name: phenethyl (E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trihydroxyphenyl)acrylic acid phenethyl ester Formula: C17H16O5 MolecularWeight: 300.30594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C17H16O5/c18-14-10-13(11-15(19)17(14)21)6-7-16(20)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-19,21H,8-9H2/b7-6+