sodium 3-(12-chloranyl-2-oxidanylidene-dodecan-4-yl)chromene-2,4-dione

Systemtic Name: sodium 3-(12-chloranyl-2-oxidanylidene-dodecan-4-yl)chromene-2,4-dione Openeye Name: sodium 3-(1-acetonyl-9-chloro-nonyl)chromane-2,4-dione CAS Name: sodium 3-(12-chloro-2-oxododecan-4-yl)-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: sodium 3-(12-chloro-2-oxododecan-4-yl)chromene-2,4-dione Traditional Name: sodium 3-(1-acetonyl-9-chloro-nonyl)chroman-2,4-quinone Formula: C21H27ClNaO4+ MolecularWeight: 401.87945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClO4.Na/c1-15(23)14-16(10-6-4-2-3-5-9-13-22)19-20(24)17-11-7-8-12-18(17)26-21(19)25;/h7-8,11-12,16,19H,2-6,9-10,13-14H2,1H3;/q;+1