4-phenyl-7-propoxy-6-propyl-chromen-2-one

Systemtic Name: 4-phenyl-7-propoxy-6-propyl-chromen-2-one Openeye Name: 4-phenyl-7-propoxy-6-propyl-chromen-2-one CAS Name: 4-phenyl-7-propoxy-6-propyl-1-benzopyran-2-one IUPAC Name: 4-phenyl-7-propoxy-6-propylchromen-2-one Traditional Name: 4-phenyl-7-propoxy-6-propyl-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCCC

InChI

InChI=1S/C21H22O3/c1-3-8-16-12-18-17(15-9-6-5-7-10-15)13-21(22)24-20(18)14-19(16)23-11-4-2/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3