sodium 5-methoxy-2-(phenylcarbonyl)cyclohexa-2,5-dien-1-one sulfate

Systemtic Name: sodium 5-methoxy-2-(phenylcarbonyl)cyclohexa-2,5-dien-1-one sulfate Openeye Name: sodium 2-benzoyl-5-methoxy-cyclohexa-2,5-dien-1-one sulfate CAS Name: sodium 2-benzoyl-5-methoxy-1-cyclohexa-2,5-dienone sulfate IUPAC Name: sodium 2-benzoyl-5-methoxycyclohexa-2,5-dien-1-one sulfate Traditional Name: sodium 2-benzoyl-5-methoxy-cyclohexa-2,5-dien-1-one sulfate Formula: C14H11NaO7S-2 MolecularWeight: 346.28771

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C[CH-]1)C(=O)C2=CC=CC=C2.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=O)C(=C[CH-]1)C(=O)C2=CC=CC=C2.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H11O3.Na.H2O4S/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;;1-5(2,3)4/h2-9H,1H3;;(H2,1,2,3,4)/q-1;+1;/p-2