4-[3-methoxy-5-(phenylmethyl)-2-propan-2-yloxy-phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-methoxy-5-(phenylmethyl)-2-propan-2-yloxy-phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-(5-benzyl-2-isopropoxy-3-methoxy-phenyl)-2,4-dioxo-butanoic acid CAS Name: 4-[3-methoxy-5-(phenylmethyl)-2-propan-2-yloxyphenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-(5-benzyl-3-methoxy-2-propan-2-yloxyphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-(5-benzyl-2-isopropoxy-3-methoxy-phenyl)-2,4-diketo-butyric acid Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1C(=O)CC(=O)C(=O)O)CC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1C(=O)CC(=O)C(=O)O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C21H22O6/c1-13(2)27-20-16(17(22)12-18(23)21(24)25)10-15(11-19(20)26-3)9-14-7-5-4-6-8-14/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,25)