3-[4-(3,5-diethyl-5-methyl-heptan-3-yl)phenoxy]propanoate

Systemtic Name: 3-[4-(3,5-diethyl-5-methyl-heptan-3-yl)phenoxy]propanoate Openeye Name: 3-[4-(1,1,3-triethyl-3-methyl-pentyl)phenoxy]propanoate CAS Name: 3-[4-(3,5-diethyl-5-methylheptan-3-yl)phenoxy]propanoate IUPAC Name: 3-[4-(3,5-diethyl-5-methylheptan-3-yl)phenoxy]propanoate Traditional Name: 3-[4-(1,1,3-triethyl-3-methyl-pentyl)phenoxy]propionate Formula: C21H33O3- MolecularWeight: 333.48492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)CC(CC)(CC)C1=CC=C(C=C1)OCCC(=O)[O-]

Isomeric SMILES

CCC(C)(CC)CC(CC)(CC)C1=CC=C(C=C1)OCCC(=O)[O-]

InChI

InChI=1S/C21H34O3/c1-6-20(5,7-2)16-21(8-3,9-4)17-10-12-18(13-11-17)24-15-14-19(22)23/h10-13H,6-9,14-16H2,1-5H3,(H,22,23)/p-1