6-(2-ethyl-2,4-dimethyl-5-oxidanylidene-hexanoyl)oxyhexyl 7-methyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 6-(2-ethyl-2,4-dimethyl-5-oxidanylidene-hexanoyl)oxyhexyl 7-methyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 6-(2-ethyl-2,4-dimethyl-5-oxo-hexanoyl)oxyhexyl 7-methyl-2-oxo-chromene-3-carboxylate CAS Name: 7-methyl-2-oxo-1-benzopyran-3-carboxylic acid 6-(2-ethyl-2,4-dimethyl-1,5-dioxohexoxy)hexyl ester IUPAC Name: 6-(2-ethyl-2,4-dimethyl-5-oxohexanoyl)oxyhexyl 7-methyl-2-oxochromene-3-carboxylate Traditional Name: 2-keto-7-methyl-chromene-3-carboxylic acid 6-(2-ethyl-5-keto-2,4-dimethyl-hexanoyl)oxyhexyl ester Formula: C27H36O7 MolecularWeight: 472.57054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)C(=O)C)C(=O)OCCCCCCOC(=O)C1=CC2=C(C=C(C=C2)C)OC1=O

Isomeric SMILES

CCC(C)(CC(C)C(=O)C)C(=O)OCCCCCCOC(=O)C1=CC2=C(C=C(C=C2)C)OC1=O

InChI

InChI=1S/C27H36O7/c1-6-27(5,17-19(3)20(4)28)26(31)33-14-10-8-7-9-13-32-24(29)22-16-21-12-11-18(2)15-23(21)34-25(22)30/h11-12,15-16,19H,6-10,13-14,17H2,1-5H3