4-chloranylaniline; dodecanoate; sulfate

Systemtic Name: 4-chloranylaniline; dodecanoate; sulfate Openeye Name: 4-chloroaniline; dodecanoate; sulfate CAS Name: 4-chloroaniline; dodecanoate; sulfate IUPAC Name: 4-chloroaniline; dodecanoate; sulfate Traditional Name: (4-chlorophenyl)amine; laurate; sulfate Formula: C18H29ClNO6S-3 MolecularWeight: 422.94396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].C1=CC(=CC=C1N)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].C1=CC(=CC=C1N)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H24O2.C6H6ClN.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-5-1-3-6(8)4-2-5;1-5(2,3)4/h2-11H2,1H3,(H,13,14);1-4H,8H2;(H2,1,2,3,4)/p-3