2-(8-ethylundecan-3-yl)benzene-1,3-dicarboxylate

Systemtic Name: 2-(8-ethylundecan-3-yl)benzene-1,3-dicarboxylate Openeye Name: 2-(1,6-diethylnonyl)benzene-1,3-dicarboxylate CAS Name: 2-(8-ethylundecan-3-yl)benzene-1,3-dicarboxylate IUPAC Name: 2-(8-ethylundecan-3-yl)benzene-1,3-dicarboxylate Traditional Name: 2-(1,6-diethylnonyl)isophthalate Formula: C21H30O4-2 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CCCCC(CC)C1=C(C=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC(CC)CCCCC(CC)C1=C(C=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H32O4/c1-4-10-15(5-2)11-7-8-12-16(6-3)19-17(20(22)23)13-9-14-18(19)21(24)25/h9,13-16H,4-8,10-12H2,1-3H3,(H,22,23)(H,24,25)/p-2