2-ethyl-4-methyl-benzenesulfonic acid; 2-methylquinoline

Systemtic Name: 2-ethyl-4-methyl-benzenesulfonic acid; 2-methylquinoline Openeye Name: 2-ethyl-4-methyl-benzenesulfonic acid; 2-methylquinoline CAS Name: 2-ethyl-4-methylbenzenesulfonic acid; 2-methylquinoline IUPAC Name: 2-ethyl-4-methylbenzenesulfonic acid; 2-methylquinoline Traditional Name: 2-ethyl-4-methyl-besylic acid; quinaldine Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C)S(=O)(=O)O.CC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCC1=C(C=CC(=C1)C)S(=O)(=O)O.CC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C10H9N.C9H12O3S/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-3-8-6-7(2)4-5-9(8)13(10,11)12/h2-7H,1H3;4-6H,3H2,1-2H3,(H,10,11,12)