sodium (2Z)-2-(5-oxidanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)ethanoate

Systemtic Name: sodium (2Z)-2-(5-oxidanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)ethanoate Openeye Name: sodium (2Z)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetate CAS Name: sodium (2Z)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetate IUPAC Name: sodium (2Z)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetate Traditional Name: sodium (2Z)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzocyclohepten-6-ylidene)acetate Formula: C13H13NaO3 MolecularWeight: 240.23029

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(C(=CC(=O)[O-])C1)O.[Na+]

Isomeric SMILES

C1CC2=CC=CC=C2C(/C(=C\C(=O)[O-])/C1)O.[Na+]

InChI

InChI=1S/C13H14O3.Na/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16;/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15);/q;+1/p-1/b10-8-;