methyl 4-[(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(6-chloro-3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(6-chloro-3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-3-hexyl-4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(6-chloro-3-hexyl-2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid methyl ester Formula: C25H27ClO5 MolecularWeight: 442.93188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)C(=O)OC)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)C(=O)OC)Cl)C

InChI

InChI=1S/C25H27ClO5/c1-4-5-6-7-8-19-16(2)20-13-21(26)23(14-22(20)31-25(19)28)30-15-17-9-11-18(12-10-17)24(27)29-3/h9-14H,4-8,15H2,1-3H3