2-[3-(2-hydroxyethyloxy)-4-oxidanyl-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-butoxy]carbonylbenzoic acid

Systemtic Name: 2-[3-(2-hydroxyethyloxy)-4-oxidanyl-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-butoxy]carbonylbenzoic acid Openeye Name: 2-[4-hydroxy-3-(2-hydroxyethoxy)-2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxy-butoxy]carbonylbenzoic acid CAS Name: 2-[[4-hydroxy-2-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]-3-(2-hydroxyethoxy)butoxy]-oxomethyl]benzoic acid IUPAC Name: 2-[4-hydroxy-3-(2-hydroxyethoxy)-2-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxybutoxy]carbonylbenzoic acid Traditional Name: 2-[4-hydroxy-3-(2-hydroxyethoxy)-2-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxy-butoxy]carbonylbenzoic acid Formula: C18H20O11 MolecularWeight: 412.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(=O)OCC(C(CO)OCCO)OC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)OCC(C(CO)OCCO)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C18H20O11/c19-7-8-27-13(9-20)14(29-16(23)6-5-15(21)22)10-28-18(26)12-4-2-1-3-11(12)17(24)25/h1-6,13-14,19-20H,7-10H2,(H,21,22)(H,24,25)/b6-5+