benzenesulfonic acid; 4-bromanyl-1-ethyl-3-(2-propan-2-ylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium

Systemtic Name: benzenesulfonic acid; 4-bromanyl-1-ethyl-3-(2-propan-2-ylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium Openeye Name: benzenesulfonic acid; 4-bromo-1-ethyl-3-(2-isopropylphenyl)-5-(3-isopropylphenyl)pyridin-1-ium CAS Name: benzenesulfonic acid; 4-bromo-1-ethyl-3-(2-propan-2-ylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium IUPAC Name: benzenesulfonic acid; 4-bromo-1-ethyl-3-(2-propan-2-ylphenyl)-5-(3-propan-2-ylphenyl)pyridin-1-ium Traditional Name: besylic acid; 4-bromo-1-ethyl-3-m-cumenyl-5-o-cumenyl-pyridin-1-ium Formula: C31H35BrNO3S+ MolecularWeight: 581.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)C(C)C)Br)C3=CC=CC=C3C(C)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)C(C)C)Br)C3=CC=CC=C3C(C)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C25H29BrN.C6H6O3S/c1-6-27-15-23(20-11-9-10-19(14-20)17(2)3)25(26)24(16-27)22-13-8-7-12-21(22)18(4)5;7-10(8,9)6-4-2-1-3-5-6/h7-18H,6H2,1-5H3;1-5H,(H,7,8,9)/q+1;