8-[[bis(prop-2-enyl)azaniumyl]methyl]-4-oxidanylidene-3-(4-phenylphenoxy)chromen-7-olate

Systemtic Name: 8-[[bis(prop-2-enyl)azaniumyl]methyl]-4-oxidanylidene-3-(4-phenylphenoxy)chromen-7-olate Openeye Name: 8-[(diallylammonio)methyl]-4-oxo-3-(4-phenylphenoxy)chromen-7-olate CAS Name: 8-[[bis(prop-2-enyl)ammonio]methyl]-4-oxo-3-(4-phenylphenoxy)-1-benzopyran-7-olate IUPAC Name: 8-[[bis(prop-2-enyl)azaniumyl]methyl]-4-oxo-3-(4-phenylphenoxy)chromen-7-olate Traditional Name: 8-[(diallylammonio)methyl]-4-keto-3-(4-phenylphenoxy)chromen-7-olate Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC=C)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

C=CC[NH+](CC=C)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C28H25NO4/c1-3-16-29(17-4-2)18-24-25(30)15-14-23-27(31)26(19-32-28(23)24)33-22-12-10-21(11-13-22)20-8-6-5-7-9-20/h3-15,19,30H,1-2,16-18H2