2-[4-(2-hydroxyethyloxymethyl)-3,5-bis(oxidanylidene)hepta-1,6-dien-4-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-[4-(2-hydroxyethyloxymethyl)-3,5-bis(oxidanylidene)hepta-1,6-dien-4-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 2-[1-(2-hydroxyethoxymethyl)-2-oxo-1-prop-2-enoyl-but-3-enoxy]carbonylcyclohex-3-ene-1-carboxylic acid CAS Name: 2-[[4-(2-hydroxyethoxymethyl)-3,5-dioxohepta-1,6-dien-4-yl]oxy-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-[4-(2-hydroxyethoxymethyl)-3,5-dioxohepta-1,6-dien-4-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Traditional Name: 2-[1-acryloyl-1-(2-hydroxyethoxymethyl)-2-keto-but-3-enoxy]carbonylcyclohex-3-ene-1-carboxylic acid Formula: C18H22O8 MolecularWeight: 366.36248

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C(COCCO)(C(=O)C=C)OC(=O)C1C=CCCC1C(=O)O

Isomeric SMILES

C=CC(=O)C(COCCO)(C(=O)C=C)OC(=O)C1C=CCCC1C(=O)O

InChI

InChI=1S/C18H22O8/c1-3-14(20)18(15(21)4-2,11-25-10-9-19)26-17(24)13-8-6-5-7-12(13)16(22)23/h3-4,6,8,12-13,19H,1-2,5,7,9-11H2,(H,22,23)