4-acetyloxy-3-(6-methoxy-2-methyl-6-oxidanylidene-hexan-2-yl)benzoic acid

Systemtic Name: 4-acetyloxy-3-(6-methoxy-2-methyl-6-oxidanylidene-hexan-2-yl)benzoic acid Openeye Name: 4-acetoxy-3-(5-methoxy-1,1-dimethyl-5-oxo-pentyl)benzoic acid CAS Name: 4-acetyloxy-3-(6-methoxy-2-methyl-6-oxohexan-2-yl)benzoic acid IUPAC Name: 4-acetyloxy-3-(6-methoxy-2-methyl-6-oxohexan-2-yl)benzoic acid Traditional Name: 4-acetoxy-3-(5-keto-5-methoxy-1,1-dimethyl-pentyl)benzoic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)O)C(C)(C)CCCC(=O)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)O)C(C)(C)CCCC(=O)OC

InChI

InChI=1S/C17H22O6/c1-11(18)23-14-8-7-12(16(20)21)10-13(14)17(2,3)9-5-6-15(19)22-4/h7-8,10H,5-6,9H2,1-4H3,(H,20,21)