[4-(chloromethyl)-2-oxidanylidene-chromen-7-yl] octanoate

Systemtic Name: [4-(chloromethyl)-2-oxidanylidene-chromen-7-yl] octanoate Openeye Name: [4-(chloromethyl)-2-oxo-chromen-7-yl] octanoate CAS Name: octanoic acid [4-(chloromethyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(chloromethyl)-2-oxochromen-7-yl] octanoate Traditional Name: caprylic acid [4-(chloromethyl)-2-keto-chromen-7-yl] ester Formula: C18H21ClO4 MolecularWeight: 336.80994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CCl

Isomeric SMILES

CCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CCl

InChI

InChI=1S/C18H21ClO4/c1-2-3-4-5-6-7-17(20)22-14-8-9-15-13(12-19)10-18(21)23-16(15)11-14/h8-11H,2-7,12H2,1H3