bis(2-methylheptan-3-yl) 3-tert-butylbenzene-1,2-dicarboxylate

Systemtic Name: bis(2-methylheptan-3-yl) 3-tert-butylbenzene-1,2-dicarboxylate Openeye Name: bis(1-isopropylpentyl) 3-tert-butylbenzene-1,2-dicarboxylate CAS Name: 3-tert-butylbenzene-1,2-dicarboxylic acid bis(2-methylheptan-3-yl) ester IUPAC Name: bis(2-methylheptan-3-yl) 3-tert-butylbenzene-1,2-dicarboxylate Traditional Name: 3-tert-butylbenzene-1,2-dicarboxylic acid bis(1-isopropylpentyl) ester Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C)OC(=O)C1=C(C(=CC=C1)C(C)(C)C)C(=O)OC(CCCC)C(C)C

Isomeric SMILES

CCCCC(C(C)C)OC(=O)C1=C(C(=CC=C1)C(C)(C)C)C(=O)OC(CCCC)C(C)C

InChI

InChI=1S/C28H46O4/c1-10-12-17-23(19(3)4)31-26(29)21-15-14-16-22(28(7,8)9)25(21)27(30)32-24(20(5)6)18-13-11-2/h14-16,19-20,23-24H,10-13,17-18H2,1-9H3