8-methoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,3,7-triol; 4-methylbenzenesulfonate

Systemtic Name: 8-methoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,3,7-triol; 4-methylbenzenesulfonate Openeye Name: 8-methoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,3,7-triol; 4-methylbenzenesulfonate CAS Name: 8-methoxy-5-methylbenzo[c]phenanthridin-5-ium-2,3,7-triol; 4-methylbenzenesulfonate IUPAC Name: 8-methoxy-5-methylbenzo[c]phenanthridin-5-ium-2,3,7-triol; 4-methylbenzenesulfonate Traditional Name: 8-methoxy-5-methyl-benzo[c]phenanthridin-5-ium-2,3,7-triol tosylate Formula: C26H23NO7S MolecularWeight: 493.52832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC(=C(C=C42)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC(=C(C=C42)O)O

InChI

InChI=1S/C19H15NO4.C7H8O3S/c1-20-9-14-11(5-6-17(24-2)19(14)23)12-4-3-10-7-15(21)16(22)8-13(10)18(12)20;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,1-2H3,(H2,21,22,23);2-5H,1H3,(H,8,9,10)