O1-ethyl O2-methyl 6-ethanoyl-4-octyl-3-oxidanyl-benzene-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-methyl 6-ethanoyl-4-octyl-3-oxidanyl-benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 6-acetyl-3-hydroxy-4-octyl-benzene-1,2-dicarboxylate CAS Name: 6-acetyl-3-hydroxy-4-octylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 6-acetyl-3-hydroxy-4-octylbenzene-1,2-dicarboxylate Traditional Name: 6-acetyl-3-hydroxy-4-octyl-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)C)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)C)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C21H30O6/c1-5-7-8-9-10-11-12-15-13-16(14(3)22)17(21(25)27-6-2)18(19(15)23)20(24)26-4/h13,23H,5-12H2,1-4H3