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

Systemtic Name: 3-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(E)-3-(4-butoxy-3-ethoxyphenyl)-1-oxoprop-2-enyl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(E)-3-(4-butoxy-3-ethoxy-phenyl)acryloyl]-4-keto-6-methyl-pyran-2-olate Formula: C21H23O6- MolecularWeight: 371.40372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=C(OC(=CC2=O)C)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=C(OC(=CC2=O)C)[O-])OCC

InChI

InChI=1S/C21H24O6/c1-4-6-11-26-18-10-8-15(13-19(18)25-5-2)7-9-16(22)20-17(23)12-14(3)27-21(20)24/h7-10,12-13,24H,4-6,11H2,1-3H3/p-1/b9-7+