methoxybenzene; [2-(4-methyl-2-oxidanyl-phenyl)-2,3-bis(oxidanyl)propyl] ethanoate; ethanoate

Systemtic Name: methoxybenzene; [2-(4-methyl-2-oxidanyl-phenyl)-2,3-bis(oxidanyl)propyl] ethanoate; ethanoate Openeye Name: anisole; [2,3-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)propyl] acetate; acetate CAS Name: acetic acid [2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] ester; methoxybenzene; acetate IUPAC Name: anisole; [2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] acetate; acetate Traditional Name: acetic acid [2,3-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)propyl] ester; anisole; acetate Formula: C21H27O8- MolecularWeight: 407.43428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CO)(COC(=O)C)O)O.CC(=O)[O-].COC1=CC=CC=C1

Isomeric SMILES

CC1=CC(=C(C=C1)C(CO)(COC(=O)C)O)O.CC(=O)[O-].COC1=CC=CC=C1

InChI

InChI=1S/C12H16O5.C7H8O.C2H4O2/c1-8-3-4-10(11(15)5-8)12(16,6-13)7-17-9(2)14;1-8-7-5-3-2-4-6-7;1-2(3)4/h3-5,13,15-16H,6-7H2,1-2H3;2-6H,1H3;1H3,(H,3,4)/p-1