3-methylaniline; 3-propylbenzenesulfonic acid

Systemtic Name: 3-methylaniline; 3-propylbenzenesulfonic acid Openeye Name: 3-methylaniline; 3-propylbenzenesulfonic acid CAS Name: 3-methylaniline; 3-propylbenzenesulfonic acid IUPAC Name: 3-methylaniline; 3-propylbenzenesulfonic acid Traditional Name: m-toluidine; 3-propylbesylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)S(=O)(=O)O.CC1=CC(=CC=C1)N

Isomeric SMILES

CCCC1=CC(=CC=C1)S(=O)(=O)O.CC1=CC(=CC=C1)N

InChI

InChI=1S/C9H12O3S.C7H9N/c1-2-4-8-5-3-6-9(7-8)13(10,11)12;1-6-3-2-4-7(8)5-6/h3,5-7H,2,4H2,1H3,(H,10,11,12);2-5H,8H2,1H3