sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate

Systemtic Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate Openeye Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-methoxyphenyl)-4-oxo-but-2-enoate CAS Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-(phenylmethyl)-2-butenoate IUPAC Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-methoxyphenyl)-4-oxobut-2-enoate Traditional Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-4-(4-methoxyphenyl)but-2-enoate Formula: C25H19NaO6 MolecularWeight: 438.40453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)[O-])CC4=CC=CC=C4.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)[O-])/CC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C25H20O6.Na/c1-29-19-10-7-17(8-11-19)24(26)20(13-16-5-3-2-4-6-16)23(25(27)28)18-9-12-21-22(14-18)31-15-30-21;/h2-12,14H,13,15H2,1H3,(H,27,28);/q;+1/p-1/b23-20-;