sodium 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoate

Systemtic Name: sodium 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoate Openeye Name: sodium 4-[(E)-3-[5-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoate CAS Name: sodium 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoate IUPAC Name: sodium 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoate Traditional Name: sodium 4-[(E)-3-[5-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]acryloyl]benzoate Formula: C26H19NaO5S MolecularWeight: 466.48083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C=CC(=O)C4=CC=C(C=C4)C(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)/C=C/C(=O)C4=CC=C(C=C4)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C26H20O5S.Na/c1-30-22-15-23(31-2)20(25-14-19-5-3-4-6-24(19)32-25)13-18(22)11-12-21(27)16-7-9-17(10-8-16)26(28)29;/h3-15H,1-2H3,(H,28,29);/q;+1/p-1/b12-11+;