sodium 2-[(4-hydroxyphenyl)-(4-oxidanylidenecyclohexa-2,5-dien-1-yl)methyl]benzoate

Systemtic Name: sodium 2-[(4-hydroxyphenyl)-(4-oxidanylidenecyclohexa-2,5-dien-1-yl)methyl]benzoate Openeye Name: sodium 2-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-yl)methyl]benzoate CAS Name: sodium 2-[(4-hydroxyphenyl)-(4-oxo-1-cyclohexa-2,5-dienyl)methyl]benzoate IUPAC Name: sodium 2-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-yl)methyl]benzoate Traditional Name: sodium 2-[(4-hydroxyphenyl)-(4-ketocyclohexa-2,5-dien-1-yl)methyl]benzoate Formula: C20H15NaO4 MolecularWeight: 342.32047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H16O4.Na/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24;/h1-13,19,22H,(H,23,24);/q;+1/p-1