methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-6-carboxylate

Systemtic Name: methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-6-carboxylate Openeye Name: methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-6-carboxylate CAS Name: 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-6-carboxylic acid methyl ester IUPAC Name: methyl 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-6-carboxylate Traditional Name: 9-tert-butyl-8,9,10,11-tetrahydrobenzo[a]xanthen-7-ium-6-carboxylic acid methyl ester Formula: C23H25O3+ MolecularWeight: 349.4428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)[O+]=C3C(=C2)C4=CC=CC=C4C=C3C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)[O+]=C3C(=C2)C4=CC=CC=C4C=C3C(=O)OC

InChI

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