methyl 4-[2-(hydroxymethyl)-6-methoxy-6-oxidanylidene-hexyl]benzoate

Systemtic Name: methyl 4-[2-(hydroxymethyl)-6-methoxy-6-oxidanylidene-hexyl]benzoate Openeye Name: methyl 4-[2-(hydroxymethyl)-6-methoxy-6-oxo-hexyl]benzoate CAS Name: 4-[2-(hydroxymethyl)-6-methoxy-6-oxohexyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(hydroxymethyl)-6-methoxy-6-oxohexyl]benzoate Traditional Name: 4-(6-keto-6-methoxy-2-methylol-hexyl)benzoic acid methyl ester Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(CC1=CC=C(C=C1)C(=O)OC)CO

Isomeric SMILES

COC(=O)CCCC(CC1=CC=C(C=C1)C(=O)OC)CO

InChI

InChI=1S/C16H22O5/c1-20-15(18)5-3-4-13(11-17)10-12-6-8-14(9-7-12)16(19)21-2/h6-9,13,17H,3-5,10-11H2,1-2H3