methyl 3-[2-(hydroxymethyl)-7-methoxy-7-oxidanylidene-heptyl]benzoate

Systemtic Name: methyl 3-[2-(hydroxymethyl)-7-methoxy-7-oxidanylidene-heptyl]benzoate Openeye Name: methyl 3-[2-(hydroxymethyl)-7-methoxy-7-oxo-heptyl]benzoate CAS Name: 3-[2-(hydroxymethyl)-7-methoxy-7-oxoheptyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(hydroxymethyl)-7-methoxy-7-oxoheptyl]benzoate Traditional Name: 3-(7-keto-7-methoxy-2-methylol-heptyl)benzoic acid methyl ester Formula: C17H24O5 MolecularWeight: 308.36946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O5/c1-21-16(19)9-4-3-6-14(12-18)10-13-7-5-8-15(11-13)17(20)22-2/h5,7-8,11,14,18H,3-4,6,9-10,12H2,1-2H3