2-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-methoxy-3-pentoxy-benzoic acid

Systemtic Name: 2-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-methoxy-3-pentoxy-benzoic acid Openeye Name: 2-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)-4-methoxy-3-pentoxy-benzoic acid CAS Name: 2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-methoxy-3-pentoxybenzoic acid IUPAC Name: 2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-methoxy-3-pentoxybenzoic acid Traditional Name: 3-amoxy-2-(1-carbethoxy-2-ethoxy-2-keto-ethyl)-4-methoxy-benzoic acid Formula: C20H28O8 MolecularWeight: 396.43152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1C(C(=O)OCC)C(=O)OCC)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1C(C(=O)OCC)C(=O)OCC)C(=O)O)OC

InChI

InChI=1S/C20H28O8/c1-5-8-9-12-28-17-14(25-4)11-10-13(18(21)22)15(17)16(19(23)26-6-2)20(24)27-7-3/h10-11,16H,5-9,12H2,1-4H3,(H,21,22)