(2E)-3,7-dimethylocta-2,6-dien-1-ol; 2-methoxy-4-prop-2-enyl-phenol; phenethyl propanoate

Systemtic Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol; 2-methoxy-4-prop-2-enyl-phenol; phenethyl propanoate Openeye Name: 4-allyl-2-methoxy-phenol; (2E)-3,7-dimethylocta-2,6-dien-1-ol; phenethyl propanoate CAS Name: (2E)-3,7-dimethyl-1-octa-2,6-dienol; 2-methoxy-4-prop-2-enylphenol; propanoic acid phenethyl ester IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol; 2-methoxy-4-prop-2-enylphenol; phenethyl propanoate Traditional Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol; eugenol; propionic acid phenethyl ester Formula: C31H44O5 MolecularWeight: 496.67806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCC1=CC=CC=C1.CC(=CCCC(=CCO)C)C.COC1=C(C=CC(=C1)CC=C)O

Isomeric SMILES

CCC(=O)OCCC1=CC=CC=C1.CC(=CCC/C(=C/CO)/C)C.COC1=C(C=CC(=C1)CC=C)O

InChI

InChI=1S/C11H14O2.C10H12O2.C10H18O/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;1-3-4-8-5-6-9(11)10(7-8)12-2;1-9(2)5-4-6-10(3)7-8-11/h3-7H,2,8-9H2,1H3;3,5-7,11H,1,4H2,2H3;5,7,11H,4,6,8H2,1-3H3/b;;10-7+