3-(4-tert-butylphenyl)propyl quinoline-8-sulfonate

Systemtic Name: 3-(4-tert-butylphenyl)propyl quinoline-8-sulfonate Openeye Name: 3-(4-tert-butylphenyl)propyl quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid 3-(4-tert-butylphenyl)propyl ester IUPAC Name: 3-(4-tert-butylphenyl)propyl quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid 3-(4-tert-butylphenyl)propyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCCOS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCCOS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H25NO3S/c1-22(2,3)19-13-11-17(12-14-19)7-6-16-26-27(24,25)20-10-4-8-18-9-5-15-23-21(18)20/h4-5,8-15H,6-7,16H2,1-3H3