(E)-4-oxidanylidene-4-[6-oxidanylidene-7-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)oxy-heptoxy]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[6-oxidanylidene-7-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)oxy-heptoxy]but-2-enoic acid Openeye Name: (E)-4-[7-(2-benzyloxy-1-methyl-2-oxo-ethoxy)-6-oxo-heptoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[6-oxo-7-(1-oxo-1-phenylmethoxypropan-2-yl)oxyheptoxy]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[6-oxo-7-(1-oxo-1-phenylmethoxypropan-2-yl)oxyheptoxy]but-2-enoic acid Traditional Name: (E)-4-[7-(2-benzoxy-2-keto-1-methyl-ethoxy)-6-keto-heptoxy]-4-keto-but-2-enoic acid Formula: C21H26O8 MolecularWeight: 406.42634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)OCC(=O)CCCCCOC(=O)C=CC(=O)O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)OCC(=O)CCCCCOC(=O)/C=C/C(=O)O

InChI

InChI=1S/C21H26O8/c1-16(21(26)29-14-17-8-4-2-5-9-17)28-15-18(22)10-6-3-7-13-27-20(25)12-11-19(23)24/h2,4-5,8-9,11-12,16H,3,6-7,10,13-15H2,1H3,(H,23,24)/b12-11+