2,2-bis(2-methoxycarbonylphenyl)heptacosanedioic acid

Systemtic Name: 2,2-bis(2-methoxycarbonylphenyl)heptacosanedioic acid Openeye Name: 2,2-bis(2-methoxycarbonylphenyl)heptacosanedioic acid CAS Name: 2,2-bis(2-methoxycarbonylphenyl)heptacosanedioic acid IUPAC Name: 2,2-bis(2-methoxycarbonylphenyl)heptacosanedioic acid Traditional Name: 2,2-bis(2-carbomethoxyphenyl)heptacosanedioic acid Formula: C43H64O8 MolecularWeight: 708.96346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(C2=CC=CC=C2C(=O)OC)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(C2=CC=CC=C2C(=O)OC)C(=O)O

InChI

InChI=1S/C43H64O8/c1-50-40(46)35-29-24-26-31-37(35)43(42(48)49,38-32-27-25-30-36(38)41(47)51-2)34-28-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-33-39(44)45/h24-27,29-32H,3-23,28,33-34H2,1-2H3,(H,44,45)(H,48,49)