3-[(E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-6-methyl-4-oxidanylidene-pyran-2-olate

Systemtic Name: 3-[(E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)acryloyl]-4-keto-6-methyl-pyran-2-olate Formula: C18H16BrO6- MolecularWeight: 408.22004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=C(OC(=CC2=O)C)[O-])Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=C(OC(=CC2=O)C)[O-])Br)OC

InChI

InChI=1S/C18H17BrO6/c1-4-24-15-9-11(8-12(19)17(15)23-3)5-6-13(20)16-14(21)7-10(2)25-18(16)22/h5-9,22H,4H2,1-3H3/p-1/b6-5+