sodium (2E)-2-[(4-dodecoxyphenyl)methylidene]-4-methanidyl-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one

Systemtic Name: sodium (2E)-2-[(4-dodecoxyphenyl)methylidene]-4-methanidyl-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one Openeye Name: sodium (3E)-3-[(4-dodecoxyphenyl)methylene]-1-methanidyl-7,7-dimethyl-norbornan-2-one CAS Name: sodium (2E)-2-[(4-dodecoxyphenyl)methylidene]-4-methanidyl-7,7-dimethyl-3-bicyclo[2.2.1]heptanone IUPAC Name: sodium (2E)-2-[(4-dodecoxyphenyl)methylidene]-4-methanidyl-7,7-dimethylbicyclo[2.2.1]heptan-3-one Traditional Name: sodium (3E)-3-(4-lauryloxybenzylidene)-1-methanidyl-7,7-dimethyl-norbornan-2-one Formula: C29H43NaO2 MolecularWeight: 446.64029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)[CH2-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/2\C3CCC(C2=O)(C3(C)C)[CH2-].[Na+]

InChI

InChI=1S/C29H43O2.Na/c1-5-6-7-8-9-10-11-12-13-14-21-31-24-17-15-23(16-18-24)22-25-26-19-20-29(4,27(25)30)28(26,2)3;/h15-18,22,26H,4-14,19-21H2,1-3H3;/q-1;+1/b25-22+;