(2S)-2-[(2S)-1,12-bis(oxidanyl)-1-oxidanylidene-dodecan-2-yl]-5-oxidanylidene-oxolane-2-carboxylic acid

Systemtic Name: (2S)-2-[(2S)-1,12-bis(oxidanyl)-1-oxidanylidene-dodecan-2-yl]-5-oxidanylidene-oxolane-2-carboxylic acid Openeye Name: (2S)-2-[(1S)-1-carboxy-11-hydroxy-undecyl]-5-oxo-tetrahydrofuran-2-carboxylic acid CAS Name: (2S)-2-[(2S)-1,12-dihydroxy-1-oxododecan-2-yl]-5-oxo-2-oxolanecarboxylic acid IUPAC Name: (2S)-2-[(2S)-1,12-dihydroxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylic acid Traditional Name: (2S)-2-[(1S)-1-carboxy-11-hydroxy-undecyl]-5-keto-tetrahydrofuran-2-carboxylic acid Formula: C17H28O7 MolecularWeight: 344.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1=O)(C(CCCCCCCCCCO)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@](OC1=O)([C@H](CCCCCCCCCCO)C(=O)O)C(=O)O

InChI

InChI=1S/C17H28O7/c18-12-8-6-4-2-1-3-5-7-9-13(15(20)21)17(16(22)23)11-10-14(19)24-17/h13,18H,1-12H2,(H,20,21)(H,22,23)/t13-,17+/m1/s1