3,5-bis(6-methylheptoxycarbonyl)benzoic acid

Systemtic Name: 3,5-bis(6-methylheptoxycarbonyl)benzoic acid Openeye Name: 3,5-bis(6-methylheptoxycarbonyl)benzoic acid CAS Name: 3,5-bis[6-methylheptoxy(oxo)methyl]benzoic acid IUPAC Name: 3,5-bis(6-methylheptoxycarbonyl)benzoic acid Traditional Name: 3,5-bis(6-methylheptoxycarbonyl)benzoic acid Formula: C25H38O6 MolecularWeight: 434.56562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O6/c1-18(2)11-7-5-9-13-30-24(28)21-15-20(23(26)27)16-22(17-21)25(29)31-14-10-6-8-12-19(3)4/h15-19H,5-14H2,1-4H3,(H,26,27)