bis(4-methylpentyl) 3-ethylbenzene-1,2-dicarboxylate

Systemtic Name: bis(4-methylpentyl) 3-ethylbenzene-1,2-dicarboxylate Openeye Name: diisohexyl 3-ethylbenzene-1,2-dicarboxylate CAS Name: 3-ethylbenzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester IUPAC Name: bis(4-methylpentyl) 3-ethylbenzene-1,2-dicarboxylate Traditional Name: 3-ethylbenzene-1,2-dicarboxylic acid diisohexyl ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C(=O)OCCCC(C)C)C(=O)OCCCC(C)C

Isomeric SMILES

CCC1=CC=CC(=C1C(=O)OCCCC(C)C)C(=O)OCCCC(C)C

InChI

InChI=1S/C22H34O4/c1-6-18-12-7-13-19(21(23)25-14-8-10-16(2)3)20(18)22(24)26-15-9-11-17(4)5/h7,12-13,16-17H,6,8-11,14-15H2,1-5H3