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

Systemtic Name: 2-[4-(2-hydroxyethyloxymethyl)-3,5-bis(oxidanylidene)hepta-1,6-dien-4-yl]oxycarbonylbenzoic acid Openeye Name: 2-[1-(2-hydroxyethoxymethyl)-2-oxo-1-prop-2-enoyl-but-3-enoxy]carbonylbenzoic acid CAS Name: 2-[[4-(2-hydroxyethoxymethyl)-3,5-dioxohepta-1,6-dien-4-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[4-(2-hydroxyethoxymethyl)-3,5-dioxohepta-1,6-dien-4-yl]oxycarbonylbenzoic acid Traditional Name: 2-[1-acryloyl-1-(2-hydroxyethoxymethyl)-2-keto-but-3-enoxy]carbonylbenzoic acid Formula: C18H18O8 MolecularWeight: 362.33072

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C(COCCO)(C(=O)C=C)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

C=CC(=O)C(COCCO)(C(=O)C=C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C18H18O8/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/h3-8,19H,1-2,9-11H2,(H,22,23)