sodium; hydrogen sulfite; 2-nonanoylcyclohexa-2,4-dien-1-one

Systemtic Name: sodium; hydrogen sulfite; 2-nonanoylcyclohexa-2,4-dien-1-one Openeye Name: sodium; hydrogen sulfite; 2-nonanoylcyclohexa-2,4-dien-1-one CAS Name: sodium; hydrogen sulfite; 2-(1-oxononyl)-1-cyclohexa-2,4-dienone IUPAC Name: sodium; hydrogen sulfite; 2-nonanoylcyclohexa-2,4-dien-1-one Traditional Name: sodium 2-pelargonylcyclohexa-2,4-dien-1-one bisulfite Formula: C15H23NaO5S MolecularWeight: 338.39489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=CC=CCC1=O.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC(=O)C1=CC=CCC1=O.OS(=O)[O-].[Na+]

InChI

InChI=1S/C15H22O2.Na.H2O3S/c1-2-3-4-5-6-7-11-14(16)13-10-8-9-12-15(13)17;;1-4(2)3/h8-10H,2-7,11-12H2,1H3;;(H2,1,2,3)/q;+1;/p-1