1-(3-methoxy-4-oxidanyl-phenyl)propan-1-one; phthalate

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)propan-1-one; phthalate Openeye Name: 1-(4-hydroxy-3-methoxy-phenyl)propan-1-one; phthalate CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-1-propanone; phthalate IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)propan-1-one; phthalate Traditional Name: 1-(4-hydroxy-3-methoxy-phenyl)propan-1-one; phthalate Formula: C18H16O7-2 MolecularWeight: 344.31544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)O)OC.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)O)OC.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H12O3.C8H6O4/c1-3-8(11)7-4-5-9(12)10(6-7)13-2;9-7(10)5-3-1-2-4-6(5)8(11)12/h4-6,12H,3H2,1-2H3;1-4H,(H,9,10)(H,11,12)/p-2