2-methoxy-4-prop-2-enyl-phenol; 2-oxidanylbenzoate

Systemtic Name: 2-methoxy-4-prop-2-enyl-phenol; 2-oxidanylbenzoate Openeye Name: 4-allyl-2-methoxy-phenol; 2-hydroxybenzoate CAS Name: 2-hydroxybenzoate; 2-methoxy-4-prop-2-enylphenol IUPAC Name: 2-hydroxybenzoate; 2-methoxy-4-prop-2-enylphenol Traditional Name: eugenol; salicylate Formula: C17H17O5- MolecularWeight: 301.31388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)O.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)O.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C10H12O2.C7H6O3/c1-3-4-8-5-6-9(11)10(7-8)12-2;8-6-4-2-1-3-5(6)7(9)10/h3,5-7,11H,1,4H2,2H3;1-4,8H,(H,9,10)/p-1