5-(16-methylheptadecoxy)-3-(16-methylheptadecoxycarbonyl)-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(16-methylheptadecoxy)-3-(16-methylheptadecoxycarbonyl)-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-hydroxy-5-(16-methylheptadecoxy)-3-(16-methylheptadecoxycarbonyl)-5-oxo-pentanoic acid CAS Name: 3-hydroxy-5-(16-methylheptadecoxy)-3-[16-methylheptadecoxy(oxo)methyl]-5-oxopentanoic acid IUPAC Name: 3-hydroxy-5-(16-methylheptadecoxy)-3-(16-methylheptadecoxycarbonyl)-5-oxopentanoic acid Traditional Name: 3-hydroxy-5-keto-5-(16-methylheptadecoxy)-3-(16-methylheptadecoxycarbonyl)valeric acid Formula: C42H80O7 MolecularWeight: 697.0804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80O7/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-48-40(45)36-42(47,35-39(43)44)41(46)49-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-38,47H,5-36H2,1-4H3,(H,43,44)