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

Systemtic Name: octan-2-yl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: 1-methylheptyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid octan-2-yl ester IUPAC Name: octan-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid 1-methylheptyl ester Formula: C17H24O4 MolecularWeight: 292.37006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C=CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCC(C)OC(=O)/C=C/C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C17H24O4/c1-3-4-5-6-7-13(2)21-17(20)11-9-14-8-10-15(18)16(19)12-14/h8-13,18-19H,3-7H2,1-2H3/b11-9+