3,4-di(octan-2-yl)phthalic acid

Systemtic Name: 3,4-di(octan-2-yl)phthalic acid Openeye Name: 3,4-bis(1-methylheptyl)phthalic acid CAS Name: 3,4-di(octan-2-yl)phthalic acid IUPAC Name: 3,4-di(octan-2-yl)phthalic acid Traditional Name: 3,4-bis(1-methylheptyl)phthalic acid Formula: C24H38O4 MolecularWeight: 390.55612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(C)CCCCCC

InChI

InChI=1S/C24H38O4/c1-5-7-9-11-13-17(3)19-15-16-20(23(25)26)22(24(27)28)21(19)18(4)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3,(H,25,26)(H,27,28)