3,4-bis(octadecoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(octadecoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(octadecoxycarbonyl)benzoic acid CAS Name: 3,4-bis[octadecoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(octadecoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(stearyloxycarbonyl)benzoic acid Formula: C45H78O6 MolecularWeight: 715.09722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-50-44(48)41-36-35-40(43(46)47)39-42(41)45(49)51-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39H,3-34,37-38H2,1-2H3,(H,46,47)