2,4-bis(3-ethylpentan-3-yl)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis(3-ethylpentan-3-yl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(1,1-diethylpropyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(3-ethylpentan-3-yl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(3-ethylpentan-3-yl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(1,1-diethylpropyl)isophthalate Formula: C22H32O4-2 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4/c1-7-21(8-2,9-3)16-14-13-15(19(23)24)18(17(16)20(25)26)22(10-4,11-5)12-6/h13-14H,7-12H2,1-6H3,(H,23,24)(H,25,26)/p-2