3,4-bis(16-methylheptadecoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(16-methylheptadecoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(16-methylheptadecoxycarbonyl)benzoic acid CAS Name: 3,4-bis[16-methylheptadecoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(16-methylheptadecoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(16-methylheptadecoxycarbonyl)benzoic acid Formula: C45H78O6 MolecularWeight: 715.09722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C45H78O6/c1-38(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-35-50-44(48)41-34-33-40(43(46)47)37-42(41)45(49)51-36-30-26-22-18-14-10-6-8-12-16-20-24-28-32-39(3)4/h33-34,37-39H,5-32,35-36H2,1-4H3,(H,46,47)