2,3-bis(4-propan-2-ylphenyl)terephthalate; 2,3-bis(3-propan-2-ylphenyl)terephthalic acid

Systemtic Name: 2,3-bis(4-propan-2-ylphenyl)terephthalate; 2,3-bis(3-propan-2-ylphenyl)terephthalic acid Openeye Name: 2,3-bis(4-isopropylphenyl)terephthalate; 2,3-bis(3-isopropylphenyl)terephthalic acid CAS Name: 2,3-bis(4-propan-2-ylphenyl)terephthalate; 2,3-bis(3-propan-2-ylphenyl)terephthalic acid IUPAC Name: 2,3-bis(4-propan-2-ylphenyl)terephthalate; 2,3-bis(3-propan-2-ylphenyl)terephthalic acid Traditional Name: 2,3-bis(m-cumenyl)terephthalic acid; 2,3-bis(p-cumenyl)terephthalate Formula: C52H50O8-2 MolecularWeight: 802.9486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=C(C=C3)C(C)C)C(=O)[O-])C(=O)[O-].CC(C)C1=CC=CC(=C1)C2=C(C=CC(=C2C3=CC(=CC=C3)C(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=C(C=C3)C(C)C)C(=O)[O-])C(=O)[O-].CC(C)C1=CC=CC(=C1)C2=C(C=CC(=C2C3=CC(=CC=C3)C(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/2C26H26O4/c1-15(2)17-5-9-19(10-6-17)23-21(25(27)28)13-14-22(26(29)30)24(23)20-11-7-18(8-12-20)16(3)4;1-15(2)17-7-5-9-19(13-17)23-21(25(27)28)11-12-22(26(29)30)24(23)20-10-6-8-18(14-20)16(3)4/h2*5-16H,1-4H3,(H,27,28)(H,29,30)/p-2