sodium 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-benzoate

Systemtic Name: sodium 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-benzoate Openeye Name: sodium 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-benzoate CAS Name: sodium 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoate IUPAC Name: sodium 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoate Traditional Name: sodium 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-benzoate Formula: C18H23NaO3 MolecularWeight: 310.36319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)[O-])OC)C)C.[Na+]

Isomeric SMILES

CC(=CCC/C(=C/CC1=C(C=CC(=C1)C(=O)[O-])OC)/C)C.[Na+]

InChI

InChI=1S/C18H24O3.Na/c1-13(2)6-5-7-14(3)8-9-15-12-16(18(19)20)10-11-17(15)21-4;/h6,8,10-12H,5,7,9H2,1-4H3,(H,19,20);/q;+1/p-1/b14-8+;