(3aS,4R,6aR,10aR)-3-oxidanylidene-1,3a,4,6a,7,8,9,10-octahydrobenzo[d][2]benzofuran-4-carboxylic acid

Systemtic Name: (3aS,4R,6aR,10aR)-3-oxidanylidene-1,3a,4,6a,7,8,9,10-octahydrobenzo[d][2]benzofuran-4-carboxylic acid Openeye Name: (3aS,4R,6aR,10aR)-3-oxo-1,3a,4,6a,7,8,9,10-octahydrobenzo[d]isobenzofuran-4-carboxylic acid CAS Name: (3aS,4R,6aR,10aR)-3-oxo-1,3a,4,6a,7,8,9,10-octahydrobenzo[d]isobenzofuran-4-carboxylic acid IUPAC Name: (3aS,4R,6aR,10aR)-3-oxo-1,3a,4,6a,7,8,9,10-octahydrobenzo[d][2]benzofuran-4-carboxylic acid Traditional Name: (3aS,4R,6aR,10aR)-3-keto-1,3a,4,6a,7,8,9,10-octahydrobenz[d]isobenzofuran-4-carboxylic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC23COC(=O)C2C(C=CC3C1)C(=O)O

Isomeric SMILES

C1CC[C@]23COC(=O)[C@H]2[C@@H](C=C[C@H]3C1)C(=O)O

InChI

InChI=1S/C13H16O4/c14-11(15)9-5-4-8-3-1-2-6-13(8)7-17-12(16)10(9)13/h4-5,8-10H,1-3,6-7H2,(H,14,15)/t8-,9-,10-,13-/m1/s1