2,4-bis(3-ethyl-2-methyl-heptan-2-yl)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis(3-ethyl-2-methyl-heptan-2-yl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(2-ethyl-1,1-dimethyl-hexyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(3-ethyl-2-methylheptan-2-yl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(3-ethyl-2-methylheptan-2-yl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(2-ethyl-1,1-dimethyl-hexyl)isophthalate Formula: C28H44O4-2 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/c1-9-13-15-19(11-3)27(5,6)22-18-17-21(25(29)30)24(23(22)26(31)32)28(7,8)20(12-4)16-14-10-2/h17-20H,9-16H2,1-8H3,(H,29,30)(H,31,32)/p-2