2-methoxycarbonyl-2-(12-methyltridecyl)-3-oxidanyl-pentanedioic acid

Systemtic Name: 2-methoxycarbonyl-2-(12-methyltridecyl)-3-oxidanyl-pentanedioic acid Openeye Name: 3-hydroxy-2-methoxycarbonyl-2-(12-methyltridecyl)pentanedioic acid CAS Name: 3-hydroxy-2-methoxycarbonyl-2-(12-methyltridecyl)pentanedioic acid IUPAC Name: 3-hydroxy-2-methoxycarbonyl-2-(12-methyltridecyl)pentanedioic acid Traditional Name: 2-carbomethoxy-3-hydroxy-2-(12-methyltridecyl)glutaric acid Formula: C21H38O7 MolecularWeight: 402.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(C(CC(=O)O)O)(C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)CCCCCCCCCCCC(C(CC(=O)O)O)(C(=O)O)C(=O)OC

InChI

InChI=1S/C21H38O7/c1-16(2)13-11-9-7-5-4-6-8-10-12-14-21(19(25)26,20(27)28-3)17(22)15-18(23)24/h16-17,22H,4-15H2,1-3H3,(H,23,24)(H,25,26)