2-[2-[(2R,3S)-3-(3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl)oxybutan-2-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[(2R,3S)-3-(3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl)oxybutan-2-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[(1R,2S)-2-(3-carboxy-5-hydroxy-5-oxo-pentanoyl)oxy-1-methyl-propoxy]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[(2R,3S)-3-(3-carboxy-5-hydroxy-1,5-dioxopentoxy)butan-2-yl]oxy-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[(2R,3S)-3-(3-carboxy-5-hydroxy-5-oxopentanoyl)oxybutan-2-yl]oxy-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[(1R,2S)-2-(3-carboxy-5-hydroxy-5-keto-pentanoyl)oxy-1-methyl-propoxy]-2-keto-ethyl]succinic acid Formula: C16H22O12 MolecularWeight: 406.33868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@H](C)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H22O12/c1-7(27-13(21)5-9(15(23)24)3-11(17)18)8(2)28-14(22)6-10(16(25)26)4-12(19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)(H,23,24)(H,25,26)/t7-,8+,9?,10?