7-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-2,12-diethyl-tridecanedioate

Systemtic Name: 7-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-2,12-diethyl-tridecanedioate Openeye Name: 2,12-diethyl-7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]tridecanedioate CAS Name: 2,12-diethyl-7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]tridecanedioate IUPAC Name: 2,12-diethyl-7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]tridecanedioate Traditional Name: 2,12-diethyl-7-(3-hydroxy-2,2-dimethylol-propyl)brassylate Formula: C22H40O7-2 MolecularWeight: 416.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(CCCCC(CC)C(=O)[O-])CC(CO)(CO)CO)C(=O)[O-]

Isomeric SMILES

CCC(CCCCC(CCCCC(CC)C(=O)[O-])CC(CO)(CO)CO)C(=O)[O-]

InChI

InChI=1S/C22H42O7/c1-3-18(20(26)27)11-7-5-9-17(13-22(14-23,15-24)16-25)10-6-8-12-19(4-2)21(28)29/h17-19,23-25H,3-16H2,1-2H3,(H,26,27)(H,28,29)/p-2