3,4-bis(3-butyl-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)phthalate

Systemtic Name: 3,4-bis(3-butyl-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)phthalate Openeye Name: 3,4-bis(2-butyl-1,3,3-trimethyl-norbornan-2-yl)phthalate CAS Name: 3,4-bis(3-butyl-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)phthalate IUPAC Name: 3,4-bis(3-butyl-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)phthalate Traditional Name: 3,4-bis(2-butyl-1,3,3-trimethyl-norbornan-2-yl)phthalate Formula: C36H52O4-2 MolecularWeight: 548.79568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C2CCC1(C2)C)(C)C)C3=C(C(=C(C=C3)C(=O)[O-])C(=O)[O-])C4(C(C5CCC4(C5)C)(C)C)CCCC

Isomeric SMILES

CCCCC1(C(C2CCC1(C2)C)(C)C)C3=C(C(=C(C=C3)C(=O)[O-])C(=O)[O-])C4(C(C5CCC4(C5)C)(C)C)CCCC

InChI

InChI=1S/C36H54O4/c1-9-11-17-35(31(3,4)23-15-19-33(35,7)21-23)26-14-13-25(29(37)38)27(30(39)40)28(26)36(18-12-10-2)32(5,6)24-16-20-34(36,8)22-24/h13-14,23-24H,9-12,15-22H2,1-8H3,(H,37,38)(H,39,40)/p-2