2,4a,9,9a-tetrahydro-1H-xanthene-9-carboxylate

Systemtic Name: 2,4a,9,9a-tetrahydro-1H-xanthene-9-carboxylate Openeye Name: 2,4a,9,9a-tetrahydro-1H-xanthene-9-carboxylate CAS Name: 2,4a,9,9a-tetrahydro-1H-xanthene-9-carboxylate IUPAC Name: 2,4a,9,9a-tetrahydro-1H-xanthene-9-carboxylate Traditional Name: 2,4a,9,9a-tetrahydro-1H-xanthene-9-carboxylate Formula: C14H13O3- MolecularWeight: 229.25122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C=C1)OC3=CC=CC=C3C2C(=O)[O-]

Isomeric SMILES

C1CC2C(C=C1)OC3=CC=CC=C3C2C(=O)[O-]

InChI

InChI=1S/C14H14O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1,3-5,7-8,10,12-13H,2,6H2,(H,15,16)/p-1