4,5-bis(6-methylheptoxycarbonyl)phthalic acid

Systemtic Name: 4,5-bis(6-methylheptoxycarbonyl)phthalic acid Openeye Name: 4,5-bis(6-methylheptoxycarbonyl)phthalic acid CAS Name: 4,5-bis[6-methylheptoxy(oxo)methyl]phthalic acid IUPAC Name: 4,5-bis(6-methylheptoxycarbonyl)phthalic acid Traditional Name: 4,5-bis(6-methylheptoxycarbonyl)phthalic acid Formula: C26H38O8 MolecularWeight: 478.57512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C26H38O8/c1-17(2)11-7-5-9-13-33-25(31)21-15-19(23(27)28)20(24(29)30)16-22(21)26(32)34-14-10-6-8-12-18(3)4/h15-18H,5-14H2,1-4H3,(H,27,28)(H,29,30)