3-[(4aS,8aS)-8a-oxidanyl-2-oxidanylidene-3,4,5,6,7,8-hexahydrochromen-4a-yl]propanoate

Systemtic Name: 3-[(4aS,8aS)-8a-oxidanyl-2-oxidanylidene-3,4,5,6,7,8-hexahydrochromen-4a-yl]propanoate Openeye Name: 3-[(4aS,8aS)-8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydrochromen-4a-yl]propanoate CAS Name: 3-[(4aS,8aS)-8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydro-1-benzopyran-4a-yl]propanoate IUPAC Name: 3-[(4aS,8aS)-8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydrochromen-4a-yl]propanoate Traditional Name: 3-[(4aS,8aS)-8a-hydroxy-2-keto-3,4,5,6,7,8-hexahydrochromen-4a-yl]propionate Formula: C12H17O5- MolecularWeight: 241.26038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)(CCC(=O)O2)CCC(=O)[O-])O

Isomeric SMILES

C1CC[C@]2([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)/p-1/t11-,12-/m0/s1