[2-methyl-4-oxidanylidene-3-(4-propylphenoxy)chromen-7-yl] ethanoate hydrate

Systemtic Name: [2-methyl-4-oxidanylidene-3-(4-propylphenoxy)chromen-7-yl] ethanoate hydrate Openeye Name: [2-methyl-4-oxo-3-(4-propylphenoxy)chromen-7-yl] acetate hydrate CAS Name: acetic acid [2-methyl-4-oxo-3-(4-propylphenoxy)-1-benzopyran-7-yl] ester hydrate IUPAC Name: [2-methyl-4-oxo-3-(4-propylphenoxy)chromen-7-yl] acetate hydrate Traditional Name: acetic acid [4-keto-2-methyl-3-(4-propylphenoxy)chromen-7-yl] ester hydrate Formula: C21H22O6 MolecularWeight: 370.39578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C)C.O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C)C.O

InChI

InChI=1S/C21H20O5.H2O/c1-4-5-15-6-8-16(9-7-15)26-21-13(2)24-19-12-17(25-14(3)22)10-11-18(19)20(21)23;/h6-12H,4-5H2,1-3H3;1H2