3-[3-(2-methoxy-2-oxidanylidene-ethyl)-7-methyl-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]propanoic acid

Systemtic Name: 3-[3-(2-methoxy-2-oxidanylidene-ethyl)-7-methyl-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]propanoic acid Openeye Name: 3-[5-hydroxy-3-(2-methoxy-2-oxo-ethyl)-7-methyl-4-oxo-chroman-2-yl]propanoic acid CAS Name: 3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]propanoic acid Traditional Name: 3-[5-hydroxy-4-keto-3-(2-keto-2-methoxy-ethyl)-7-methyl-chroman-2-yl]propionic acid Formula: C16H18O7 MolecularWeight: 322.30992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)O)C(=O)C(C(O2)CCC(=O)O)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C(=C1)O)C(=O)C(C(O2)CCC(=O)O)CC(=O)OC

InChI

InChI=1S/C16H18O7/c1-8-5-10(17)15-12(6-8)23-11(3-4-13(18)19)9(16(15)21)7-14(20)22-2/h5-6,9,11,17H,3-4,7H2,1-2H3,(H,18,19)