sodium 2-[(E)-3-(4-cyclohexylphenyl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: sodium 2-[(E)-3-(4-cyclohexylphenyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: sodium 2-[(E)-3-(4-cyclohexylphenyl)-3-oxo-prop-1-enyl]benzoate CAS Name: sodium 2-[(E)-3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]benzoate IUPAC Name: sodium 2-[(E)-3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]benzoate Traditional Name: sodium 2-[(E)-3-(4-cyclohexylphenyl)-3-keto-prop-1-enyl]benzoate Formula: C22H21NaO3 MolecularWeight: 356.39011

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3C(=O)[O-].[Na+]

InChI

InChI=1S/C22H22O3.Na/c23-21(15-14-18-8-4-5-9-20(18)22(24)25)19-12-10-17(11-13-19)16-6-2-1-3-7-16;/h4-5,8-16H,1-3,6-7H2,(H,24,25);/q;+1/p-1/b15-14+;