8-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-8-(7-oxidanidyl-7-oxidanylidene-heptyl)pentadecanedioate

Systemtic Name: 8-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-8-(7-oxidanidyl-7-oxidanylidene-heptyl)pentadecanedioate Openeye Name: 8-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-8-(7-oxido-7-oxo-heptyl)pentadecanedioate CAS Name: 8-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-8-(7-oxido-7-oxoheptyl)pentadecanedioate IUPAC Name: 8-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-8-(7-oxido-7-oxoheptyl)pentadecanedioate Traditional Name: 8-(3-hydroxy-2,2-dimethylol-propyl)-8-(7-keto-7-oxido-heptyl)pentadecanedioate Formula: C27H47O9-3 MolecularWeight: 515.65668

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(CCCCCCC(=O)[O-])(CCCCCCC(=O)[O-])CC(CO)(CO)CO)CCC(=O)[O-]

Isomeric SMILES

C(CCCC(CCCCCCC(=O)[O-])(CCCCCCC(=O)[O-])CC(CO)(CO)CO)CCC(=O)[O-]

InChI

InChI=1S/C27H50O9/c28-20-27(21-29,22-30)19-26(16-10-4-1-7-13-23(31)32,17-11-5-2-8-14-24(33)34)18-12-6-3-9-15-25(35)36/h28-30H,1-22H2,(H,31,32)(H,33,34)(H,35,36)/p-3