3-methoxy-4-[(4-methyl-2-oxidanylidene-8-propyl-chromen-7-yl)oxymethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[(4-methyl-2-oxidanylidene-8-propyl-chromen-7-yl)oxymethyl]benzoic acid Openeye Name: 3-methoxy-4-[(4-methyl-2-oxo-8-propyl-chromen-7-yl)oxymethyl]benzoic acid CAS Name: 3-methoxy-4-[(4-methyl-2-oxo-8-propyl-1-benzopyran-7-yl)oxymethyl]benzoic acid IUPAC Name: 3-methoxy-4-[(4-methyl-2-oxo-8-propylchromen-7-yl)oxymethyl]benzoic acid Traditional Name: 4-[(2-keto-4-methyl-8-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=CC2=C1OC(=O)C=C2C)OCC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=O)C=C2C)OCC3=C(C=C(C=C3)C(=O)O)OC

InChI

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