3-methoxy-4-[(4-methyl-2-oxidanylidene-6-propyl-chromen-7-yl)oxymethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[(4-methyl-2-oxidanylidene-6-propyl-chromen-7-yl)oxymethyl]benzoic acid Openeye Name: 3-methoxy-4-[(4-methyl-2-oxo-6-propyl-chromen-7-yl)oxymethyl]benzoic acid CAS Name: 3-methoxy-4-[(4-methyl-2-oxo-6-propyl-1-benzopyran-7-yl)oxymethyl]benzoic acid IUPAC Name: 3-methoxy-4-[(4-methyl-2-oxo-6-propylchromen-7-yl)oxymethyl]benzoic acid Traditional Name: 4-[(2-keto-4-methyl-6-propyl-chromen-7-yl)oxymethyl]-3-methoxy-benzoic acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H22O6/c1-4-5-14-9-17-13(2)8-21(23)28-20(17)11-19(14)27-12-16-7-6-15(22(24)25)10-18(16)26-3/h6-11H,4-5,12H2,1-3H3,(H,24,25)