3,4-bis(2,4,5-trimethylphenyl)phthalate

Systemtic Name: 3,4-bis(2,4,5-trimethylphenyl)phthalate Openeye Name: 3,4-bis(2,4,5-trimethylphenyl)phthalate CAS Name: 3,4-bis(2,4,5-trimethylphenyl)phthalate IUPAC Name: 3,4-bis(2,4,5-trimethylphenyl)phthalate Traditional Name: 3,4-bis(2,4,5-trimethylphenyl)phthalate Formula: C26H24O4-2 MolecularWeight: 400.46636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC(=C(C=C3C)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC(=C(C=C3C)C)C)C)C

InChI

InChI=1S/C26H26O4/c1-13-9-17(5)21(11-15(13)3)19-7-8-20(25(27)28)24(26(29)30)23(19)22-12-16(4)14(2)10-18(22)6/h7-12H,1-6H3,(H,27,28)(H,29,30)/p-2