2,5-bis[(4-butan-2-ylphenyl)methyl]terephthalic acid

Systemtic Name: 2,5-bis[(4-butan-2-ylphenyl)methyl]terephthalic acid Openeye Name: 2,5-bis[(4-sec-butylphenyl)methyl]terephthalic acid CAS Name: 2,5-bis[(4-butan-2-ylphenyl)methyl]terephthalic acid IUPAC Name: 2,5-bis[(4-butan-2-ylphenyl)methyl]terephthalic acid Traditional Name: 2,5-bis(4-sec-butylbenzyl)terephthalic acid Formula: C30H34O4 MolecularWeight: 458.58856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)CC3=CC=C(C=C3)C(C)CC)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)CC3=CC=C(C=C3)C(C)CC)C(=O)O

InChI

InChI=1S/C30H34O4/c1-5-19(3)23-11-7-21(8-12-23)15-25-17-28(30(33)34)26(18-27(25)29(31)32)16-22-9-13-24(14-10-22)20(4)6-2/h7-14,17-20H,5-6,15-16H2,1-4H3,(H,31,32)(H,33,34)