methyl 2-[3-(2-methoxy-1-oxidanyl-2-oxidanylidene-ethyl)-5-nonyl-2-oxidanyl-phenyl]-2-oxidanyl-ethanoate

Systemtic Name: methyl 2-[3-(2-methoxy-1-oxidanyl-2-oxidanylidene-ethyl)-5-nonyl-2-oxidanyl-phenyl]-2-oxidanyl-ethanoate Openeye Name: methyl 2-hydroxy-2-[2-hydroxy-3-(1-hydroxy-2-methoxy-2-oxo-ethyl)-5-nonyl-phenyl]acetate CAS Name: 2-hydroxy-2-[2-hydroxy-3-(1-hydroxy-2-methoxy-2-oxoethyl)-5-nonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-hydroxy-2-[2-hydroxy-3-(1-hydroxy-2-methoxy-2-oxoethyl)-5-nonylphenyl]acetate Traditional Name: 2-hydroxy-2-[2-hydroxy-3-(1-hydroxy-2-keto-2-methoxy-ethyl)-5-nonyl-phenyl]acetic acid methyl ester Formula: C21H32O7 MolecularWeight: 396.47458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1)C(C(=O)OC)O)O)C(C(=O)OC)O

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1)C(C(=O)OC)O)O)C(C(=O)OC)O

InChI

InChI=1S/C21H32O7/c1-4-5-6-7-8-9-10-11-14-12-15(18(23)20(25)27-2)17(22)16(13-14)19(24)21(26)28-3/h12-13,18-19,22-24H,4-11H2,1-3H3