quinoline; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: quinoline; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: quinoline; 2,4,6-trimethylbenzenesulfonic acid CAS Name: quinoline; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: quinoline; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: quinoline; 2,4,6-trimethylbesylic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.C1=CC=C2C(=C1)C=CC=N2

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.C1=CC=C2C(=C1)C=CC=N2

InChI

InChI=1S/C9H7N.C9H12O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-7H;4-5H,1-3H3,(H,10,11,12)