methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-1-carboxylate

Systemtic Name: methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-1-carboxylate Openeye Name: methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-1-carboxylate CAS Name: 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-1-carboxylic acid methyl ester IUPAC Name: methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-1-carboxylate Traditional Name: 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-1-carboxylic acid methyl ester Formula: C23H25O3+ MolecularWeight: 349.4428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)[O+]=C3C=CC4=C(C3=C2)C(=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)[O+]=C3C=CC4=C(C3=C2)C(=CC=C4)C(=O)OC

InChI

InChI=1S/C23H25O3/c1-23(2,3)16-10-8-15-12-18-19(26-20(15)13-16)11-9-14-6-5-7-17(21(14)18)22(24)25-4/h5-7,9,11-12,16H,8,10,13H2,1-4H3/q+1