3,4-bis(nonoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(nonoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(nonoxycarbonyl)benzoic acid CAS Name: 3,4-bis[nonoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(nonoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(nonoxycarbonyl)benzoic acid Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCC

InChI

InChI=1S/C27H42O6/c1-3-5-7-9-11-13-15-19-32-26(30)23-18-17-22(25(28)29)21-24(23)27(31)33-20-16-14-12-10-8-6-4-2/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,29)