2-(4-aminophenyl)-4-butyl-benzenesulfonic acid

Systemtic Name: 2-(4-aminophenyl)-4-butyl-benzenesulfonic acid Openeye Name: 2-(4-aminophenyl)-4-butyl-benzenesulfonic acid CAS Name: 2-(4-aminophenyl)-4-butylbenzenesulfonic acid IUPAC Name: 2-(4-aminophenyl)-4-butylbenzenesulfonic acid Traditional Name: 2-(4-aminophenyl)-4-butyl-besylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC=C(C=C2)N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H19NO3S/c1-2-3-4-12-5-10-16(21(18,19)20)15(11-12)13-6-8-14(17)9-7-13/h5-11H,2-4,17H2,1H3,(H,18,19,20)