4,5-bis(7-methyloctoxycarbonyl)phthalic acid

Systemtic Name: 4,5-bis(7-methyloctoxycarbonyl)phthalic acid Openeye Name: 4,5-bis(7-methyloctoxycarbonyl)phthalic acid CAS Name: 4,5-bis[7-methyloctoxy(oxo)methyl]phthalic acid IUPAC Name: 4,5-bis(7-methyloctoxycarbonyl)phthalic acid Traditional Name: 4,5-bis(7-methyloctoxycarbonyl)phthalic acid Formula: C28H42O8 MolecularWeight: 506.62828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCCC(C)C

InChI

InChI=1S/C28H42O8/c1-19(2)13-9-5-7-11-15-35-27(33)23-17-21(25(29)30)22(26(31)32)18-24(23)28(34)36-16-12-8-6-10-14-20(3)4/h17-20H,5-16H2,1-4H3,(H,29,30)(H,31,32)