methyl 4-[(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-hexyl-4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid methyl ester Formula: C25H28O5 MolecularWeight: 408.48682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)OC1=O)C

InChI

InChI=1S/C25H28O5/c1-4-5-6-7-8-22-17(2)21-14-13-20(15-23(21)30-25(22)27)29-16-18-9-11-19(12-10-18)24(26)28-3/h9-15H,4-8,16H2,1-3H3