3,4-bis(8-methylnonoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(8-methylnonoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(8-methylnonoxycarbonyl)benzoic acid CAS Name: 3,4-bis[8-methylnonoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(8-methylnonoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(8-methylnonoxycarbonyl)benzoic acid Formula: C29H46O6 MolecularWeight: 490.67194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCC(C)C

InChI

InChI=1S/C29H46O6/c1-22(2)15-11-7-5-9-13-19-34-28(32)25-18-17-24(27(30)31)21-26(25)29(33)35-20-14-10-6-8-12-16-23(3)4/h17-18,21-23H,5-16,19-20H2,1-4H3,(H,30,31)