2,12-dimethyl-7-(5-methyl-6-oxidanyl-6-oxidanylidene-hexyl)-7-(nitromethyl)tridecanedioic acid

Systemtic Name: 2,12-dimethyl-7-(5-methyl-6-oxidanyl-6-oxidanylidene-hexyl)-7-(nitromethyl)tridecanedioic acid Openeye Name: 7-(6-hydroxy-5-methyl-6-oxo-hexyl)-2,12-dimethyl-7-(nitromethyl)tridecanedioic acid CAS Name: 7-(6-hydroxy-5-methyl-6-oxohexyl)-2,12-dimethyl-7-(nitromethyl)tridecanedioic acid IUPAC Name: 7-(6-hydroxy-5-methyl-6-oxohexyl)-2,12-dimethyl-7-(nitromethyl)tridecanedioic acid Traditional Name: 7-(6-hydroxy-6-keto-5-methyl-hexyl)-2,12-dimethyl-7-(nitromethyl)brassylic acid Formula: C23H41NO8 MolecularWeight: 459.57354

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(CCCCC(C)C(=O)O)(CCCCC(C)C(=O)O)C[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CCCCC(CCCCC(C)C(=O)O)(CCCCC(C)C(=O)O)C[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H41NO8/c1-17(20(25)26)10-4-7-13-23(16-24(31)32,14-8-5-11-18(2)21(27)28)15-9-6-12-19(3)22(29)30/h17-19H,4-16H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)