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4-methylbenzenesulfonate; 2-naphthalen-2-ylquinolin-1-ium-4-ol

4-methylbenzenesulfonate; 2-naphthalen-2-ylquinolin-1-ium-4-ol

Systemtic Name:4-methylbenzenesulfonate; 2-naphthalen-2-ylquinolin-1-ium-4-ol
Openeye Name:4-methylbenzenesulfonate; 2-(2-naphthyl)quinolin-1-ium-4-ol
CAS Name:4-methylbenzenesulfonate; 2-(2-naphthalenyl)-4-quinolin-1-iumol
IUPAC Name:4-methylbenzenesulfonate; 2-naphthalen-2-ylquinolin-1-ium-4-ol
Traditional Name:2-(2-naphthyl)quinolin-1-ium-4-ol tosylate
Formula: C26H21NO4S
MolecularWeight: 443.51424
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C3=[NH+]C4=CC=CC=C4C(=C3)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)C3=[NH+]C4=CC=CC=C4C(=C3)O


InChI

InChI=1S/C19H13NO.C7H8O3S/c21-19-12-18(20-17-8-4-3-7-16(17)19)15-10-9-13-5-1-2-6-14(13)11-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-12H,(H,20,21);2-5H,1H3,(H,8,9,10)


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