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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC(=O)C2=C(OC(=CC2=O)C)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/C(=O)C2=C(OC(=CC2=O)C)[O-])OC

InChI

InChI=1S/C18H17BrO6/c1-4-24-17-12(19)8-11(9-15(17)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+