sodium (E)-3-[2-[(E)-3-(3-phenyl-1-benzofuran-7-yl)prop-2-enyl]phenyl]prop-2-enoate

Systemtic Name: sodium (E)-3-[2-[(E)-3-(3-phenyl-1-benzofuran-7-yl)prop-2-enyl]phenyl]prop-2-enoate Openeye Name: sodium (E)-3-[2-[(E)-3-(3-phenylbenzofuran-7-yl)allyl]phenyl]prop-2-enoate CAS Name: sodium (E)-3-[2-[(E)-3-(3-phenyl-7-benzofuranyl)prop-2-enyl]phenyl]-2-propenoate IUPAC Name: sodium (E)-3-[2-[(E)-3-(3-phenyl-1-benzofuran-7-yl)prop-2-enyl]phenyl]prop-2-enoate Traditional Name: sodium (E)-3-[2-[(E)-3-(3-phenylbenzofuran-7-yl)allyl]phenyl]acrylate Formula: C26H19NaO3 MolecularWeight: 402.41703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=COC3=C2C=CC=C3C=CCC4=CC=CC=C4C=CC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=COC3=C2C=CC=C3/C=C/CC4=CC=CC=C4/C=C/C(=O)[O-].[Na+]

InChI

InChI=1S/C26H20O3.Na/c27-25(28)17-16-20-9-5-4-8-19(20)12-6-13-22-14-7-15-23-24(18-29-26(22)23)21-10-2-1-3-11-21;/h1-11,13-18H,12H2,(H,27,28);/q;+1/p-1/b13-6+,17-16+;