3,4-bis(2,4-dipentylphenyl)phthalic acid

Systemtic Name: 3,4-bis(2,4-dipentylphenyl)phthalic acid Openeye Name: 3,4-bis(2,4-dipentylphenyl)phthalic acid CAS Name: 3,4-bis(2,4-dipentylphenyl)phthalic acid IUPAC Name: 3,4-bis(2,4-dipentylphenyl)phthalic acid Traditional Name: 3,4-bis(2,4-diamylphenyl)phthalic acid Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3=C(C=C(C=C3)CCCCC)CCCCC)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3=C(C=C(C=C3)CCCCC)CCCCC)CCCCC

InChI

InChI=1S/C40H54O4/c1-5-9-13-17-29-21-23-33(31(27-29)19-15-11-7-3)35-25-26-36(39(41)42)38(40(43)44)37(35)34-24-22-30(18-14-10-6-2)28-32(34)20-16-12-8-4/h21-28H,5-20H2,1-4H3,(H,41,42)(H,43,44)