3-(14-methylpentadecoxycarbonyl)-3-oxidanyl-pentanedioic acid

Systemtic Name: 3-(14-methylpentadecoxycarbonyl)-3-oxidanyl-pentanedioic acid Openeye Name: 3-hydroxy-3-(14-methylpentadecoxycarbonyl)pentanedioic acid CAS Name: 3-hydroxy-3-[14-methylpentadecoxy(oxo)methyl]pentanedioic acid IUPAC Name: 3-hydroxy-3-(14-methylpentadecoxycarbonyl)pentanedioic acid Traditional Name: 3-hydroxy-3-(14-methylpentadecoxycarbonyl)glutaric acid Formula: C22H40O7 MolecularWeight: 416.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCOC(=O)C(CC(=O)O)(CC(=O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCOC(=O)C(CC(=O)O)(CC(=O)O)O

InChI

InChI=1S/C22H40O7/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-29-21(27)22(28,16-19(23)24)17-20(25)26/h18,28H,3-17H2,1-2H3,(H,23,24)(H,25,26)