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

Systemtic Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate Openeye Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-methoxy-3-methyl-phenyl)-4-oxo-but-2-enoate CAS Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-(phenylmethyl)-2-butenoate IUPAC Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-methoxy-3-methylphenyl)-4-oxobut-2-enoate Traditional Name: sodium (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-4-(4-methoxy-3-methyl-phenyl)but-2-enoate Formula: C26H21NaO6 MolecularWeight: 452.43111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)[O-])CC4=CC=CC=C4)OC.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)[O-])/CC4=CC=CC=C4)OC.[Na+]

InChI

InChI=1S/C26H22O6.Na/c1-16-12-19(9-10-21(16)30-2)25(27)20(13-17-6-4-3-5-7-17)24(26(28)29)18-8-11-22-23(14-18)32-15-31-22;/h3-12,14H,13,15H2,1-2H3,(H,28,29);/q;+1/p-1/b24-20-;