sodium 3-(2-oxidanylidenedodecan-4-yl)chromene-2,4-dione

Systemtic Name: sodium 3-(2-oxidanylidenedodecan-4-yl)chromene-2,4-dione Openeye Name: sodium 3-(1-acetonylnonyl)chromane-2,4-dione CAS Name: sodium 3-(2-oxododecan-4-yl)-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: sodium 3-(2-oxododecan-4-yl)chromene-2,4-dione Traditional Name: sodium 3-(1-acetonylnonyl)chroman-2,4-quinone Formula: C21H28NaO4+ MolecularWeight: 367.43439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)C)C1C(=O)C2=CC=CC=C2OC1=O.[Na+]

Isomeric SMILES

CCCCCCCCC(CC(=O)C)C1C(=O)C2=CC=CC=C2OC1=O.[Na+]

InChI

InChI=1S/C21H28O4.Na/c1-3-4-5-6-7-8-11-16(14-15(2)22)19-20(23)17-12-9-10-13-18(17)25-21(19)24;/h9-10,12-13,16,19H,3-8,11,14H2,1-2H3;/q;+1