5-azanyl-2-propyl-benzenesulfonic acid

Systemtic Name: 5-azanyl-2-propyl-benzenesulfonic acid Openeye Name: 5-amino-2-propyl-benzenesulfonic acid CAS Name: 5-amino-2-propylbenzenesulfonic acid IUPAC Name: 5-amino-2-propylbenzenesulfonic acid Traditional Name: 5-amino-2-propyl-besylic acid Formula: C9H13NO3S MolecularWeight: 215.26942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

CCCC1=C(C=C(C=C1)N)S(=O)(=O)O

InChI

InChI=1S/C9H13NO3S/c1-2-3-7-4-5-8(10)6-9(7)14(11,12)13/h4-6H,2-3,10H2,1H3,(H,11,12,13)