azane; 4-butylbenzenesulfonic acid

Systemtic Name: azane; 4-butylbenzenesulfonic acid Openeye Name: ammonia; 4-butylbenzenesulfonic acid CAS Name: ammonia; 4-butylbenzenesulfonic acid IUPAC Name: azane; 4-butylbenzenesulfonic acid Traditional Name: ammonia; 4-butylbesylic acid Formula: C10H17NO3S MolecularWeight: 231.31188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S.H3N/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13;/h5-8H,2-4H2,1H3,(H,11,12,13);1H3