7-ethyl-12-methyl-benzo[a]acridin-7-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 7-ethyl-12-methyl-benzo[a]acridin-7-ium; 4-methylbenzenesulfonic acid Openeye Name: 7-ethyl-12-methyl-benzo[a]acridin-7-ium; 4-methylbenzenesulfonic acid CAS Name: 7-ethyl-12-methylbenzo[a]acridin-7-ium; 4-methylbenzenesulfonic acid IUPAC Name: 7-ethyl-12-methylbenzo[a]acridin-7-ium; 4-methylbenzenesulfonic acid Traditional Name: 7-ethyl-12-methyl-benz[a]acridin-7-ium; tosylic acid Formula: C27H26NO3S+ MolecularWeight: 444.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C41)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C41)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H18N.C7H8O3S/c1-3-21-18-11-7-6-9-16(18)14(2)20-17-10-5-4-8-15(17)12-13-19(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;