benzenesulfonic acid; octan-3-amine

Systemtic Name: benzenesulfonic acid; octan-3-amine Openeye Name: benzenesulfonic acid; octan-3-amine CAS Name: benzenesulfonic acid; 3-octanamine IUPAC Name: benzenesulfonic acid; octan-3-amine Traditional Name: besylic acid; 1-ethylhexylamine Formula: C14H25NO3S MolecularWeight: 287.4182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H19N.C6H6O3S/c1-3-5-6-7-8(9)4-2;7-10(8,9)6-4-2-1-3-5-6/h8H,3-7,9H2,1-2H3;1-5H,(H,7,8,9)