dipotassium 4-[(E)-16-methylheptadec-1-enoxy]-4-oxidanylidene-butanoate

Systemtic Name: dipotassium 4-[(E)-16-methylheptadec-1-enoxy]-4-oxidanylidene-butanoate Openeye Name: dipotassium 4-[(E)-16-methylheptadec-1-enoxy]-4-oxo-butanoate CAS Name: dipotassium 4-[(E)-16-methylheptadec-1-enoxy]-4-oxobutanoate IUPAC Name: dipotassium 4-[(E)-16-methylheptadec-1-enoxy]-4-oxobutanoate Traditional Name: dipotassium 4-keto-4-[(E)-16-methylheptadec-1-enoxy]butyrate Formula: C44H78K2O8 MolecularWeight: 813.28192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC=COC(=O)CCC(=O)[O-].CC(C)CCCCCCCCCCCCCC=COC(=O)CCC(=O)[O-].[K+].[K+]

Isomeric SMILES

CC(CCCCCCCCCCCCC/C=C/OC(=O)CCC(=O)[O-])C.CC(CCCCCCCCCCCCC/C=C/OC(=O)CCC(=O)[O-])C.[K+].[K+]

InChI

InChI=1S/2C22H40O4.2K/c2*1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-19-26-22(25)18-17-21(23)24;;/h2*15,19-20H,3-14,16-18H2,1-2H3,(H,23,24);;/q;;2*+1/p-2/b2*19-15+;;