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12,31-bis(oxidanyl)dotetracontanedioic acid

12,31-bis(oxidanyl)dotetracontanedioic acid

Systemtic Name:12,31-bis(oxidanyl)dotetracontanedioic acid
Openeye Name:12,31-dihydroxydotetracontanedioic acid
CAS Name:12,31-dihydroxydotetracontanedioic acid
IUPAC Name:12,31-dihydroxydotetracontanedioic acid
Traditional Name:12,31-dihydroxydotetracontanedioic acid
Formula: C42H82O6
MolecularWeight: 683.09688
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCCCC(CCCCCCCCCCC(=O)O)O


Isomeric SMILES

C(CCCCCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCCCC(CCCCCCCCCCC(=O)O)O


InChI

InChI=1S/C42H82O6/c43-39(35-29-23-17-11-13-19-25-31-37-41(45)46)33-27-21-15-9-7-5-3-1-2-4-6-8-10-16-22-28-34-40(44)36-30-24-18-12-14-20-26-32-38-42(47)48/h39-40,43-44H,1-38H2,(H,45,46)(H,47,48)


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