4-[3-(3-carboxybut-3-enoyloxy)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexoxy]-2-methylidene-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(3-carboxybut-3-enoyloxy)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexoxy]-2-methylidene-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(3-carboxybut-3-enoyloxy)-4,5,6-trihydroxy-2-oxo-hexoxy]-2-methylene-4-oxo-butanoic acid CAS Name: 4-[3-(3-carboxy-1-oxobut-3-enoxy)-4,5,6-trihydroxy-2-oxohexoxy]-2-methylene-4-oxobutanoic acid IUPAC Name: 4-[3-(3-carboxybut-3-enoyloxy)-4,5,6-trihydroxy-2-oxohexoxy]-2-methylidene-4-oxobutanoic acid Traditional Name: 2-[2-[3-(3-carboxybut-3-enoyloxy)-4,5,6-trihydroxy-2-keto-hexoxy]-2-keto-ethyl]acrylic acid Formula: C16H20O12 MolecularWeight: 404.3228

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(=O)OCC(=O)C(C(C(CO)O)O)OC(=O)CC(=C)C(=O)O)C(=O)O

Isomeric SMILES

C=C(CC(=O)OCC(=O)C(C(C(CO)O)O)OC(=O)CC(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C16H20O12/c1-7(15(23)24)3-11(20)27-6-10(19)14(13(22)9(18)5-17)28-12(21)4-8(2)16(25)26/h9,13-14,17-18,22H,1-6H2,(H,23,24)(H,25,26)