sodium [3-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl] ethyl (3-methylphenyl) phosphate

Systemtic Name: sodium [3-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl] ethyl (3-methylphenyl) phosphate Openeye Name: sodium [3-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl] ethyl m-tolyl phosphate CAS Name: sodium phosphoric acid [3-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]phenyl] ethyl (3-methylphenyl) ester IUPAC Name: sodium [3-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl] ethyl (3-methylphenyl) phosphate Traditional Name: sodium phosphoric acid [3-[(E)-3-(4-cyanophenyl)acryloyl]phenyl] ethyl m-tolyl ester Formula: C25H22NNaO5P+ MolecularWeight: 470.409411

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C(=O)C=CC3=CC=C(C=C3)C#N.[Na+]

Isomeric SMILES

CCOP(=O)(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C(=O)/C=C/C3=CC=C(C=C3)C#N.[Na+]

InChI

InChI=1S/C25H22NO5P.Na/c1-3-29-32(28,30-23-8-4-6-19(2)16-23)31-24-9-5-7-22(17-24)25(27)15-14-20-10-12-21(18-26)13-11-20;/h4-17H,3H2,1-2H3;/q;+1/b15-14+;