2-methoxy-4-prop-2-enyl-phenol; (E)-octadec-9-enoate

Systemtic Name: 2-methoxy-4-prop-2-enyl-phenol; (E)-octadec-9-enoate Openeye Name: 4-allyl-2-methoxy-phenol; (E)-octadec-9-enoate CAS Name: 2-methoxy-4-prop-2-enylphenol; (E)-9-octadecenoate IUPAC Name: 2-methoxy-4-prop-2-enylphenol; (E)-octadec-9-enoate Traditional Name: eugenol; (E)-octadec-9-enoate Formula: C28H45O4- MolecularWeight: 445.6545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.C10H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-8-5-6-9(11)10(7-8)12-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);3,5-7,11H,1,4H2,2H3/p-1/b10-9+;