2-ethylaniline sulfate hydrate

Systemtic Name: 2-ethylaniline sulfate hydrate Openeye Name: 2-ethylaniline sulfate hydrate CAS Name: 2-ethylaniline sulfate hydrate IUPAC Name: 2-ethylaniline sulfate hydrate Traditional Name: (2-ethylphenyl)amine sulfate hydrate Formula: C8H13NO5S-2 MolecularWeight: 235.25752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H11N.H2O4S.H2O/c1-2-7-5-3-4-6-8(7)9;1-5(2,3)4;/h3-6H,2,9H2,1H3;(H2,1,2,3,4);1H2/p-2