3-(8a-oxidanyl-2-oxidanylidene-3,4,5,6,7,8-hexahydrochromen-4a-yl)propanoic acid

Systemtic Name: 3-(8a-oxidanyl-2-oxidanylidene-3,4,5,6,7,8-hexahydrochromen-4a-yl)propanoic acid Openeye Name: 3-(8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydrochromen-4a-yl)propanoic acid CAS Name: 3-(8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydro-1-benzopyran-4a-yl)propanoic acid IUPAC Name: 3-(8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydrochromen-4a-yl)propanoic acid Traditional Name: 3-(8a-hydroxy-2-keto-3,4,5,6,7,8-hexahydrochromen-4a-yl)propionic acid Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)(CCC(=O)O2)CCC(=O)O)O

Isomeric SMILES

C1CCC2(C(C1)(CCC(=O)O2)CCC(=O)O)O

InChI

InChI=1S/C12H18O5/c13-9(14)3-7-11-5-1-2-6-12(11,16)17-10(15)4-8-11/h16H,1-8H2,(H,13,14)