3-(4-methyl-7-octan-2-yloxy-5-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoic acid

Systemtic Name: 3-(4-methyl-7-octan-2-yloxy-5-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoic acid Openeye Name: 3-[5-hydroxy-4-methyl-7-(1-methylheptoxy)-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-(5-hydroxy-4-methyl-7-octan-2-yloxy-2-oxo-1-benzopyran-3-yl)propanoic acid IUPAC Name: 3-(5-hydroxy-4-methyl-7-octan-2-yloxy-2-oxochromen-3-yl)propanoic acid Traditional Name: 3-[5-hydroxy-2-keto-4-methyl-7-(1-methylheptoxy)chromen-3-yl]propionic acid Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC(=C2C(=C(C(=O)OC2=C1)CCC(=O)O)C)O

Isomeric SMILES

CCCCCCC(C)OC1=CC(=C2C(=C(C(=O)OC2=C1)CCC(=O)O)C)O

InChI

InChI=1S/C21H28O6/c1-4-5-6-7-8-13(2)26-15-11-17(22)20-14(3)16(9-10-19(23)24)21(25)27-18(20)12-15/h11-13,22H,4-10H2,1-3H3,(H,23,24)