methane; 1,2,3,4-tetrahydroquinoline-8-sulfonate; hydrate

Systemtic Name: methane; 1,2,3,4-tetrahydroquinoline-8-sulfonate; hydrate Openeye Name: methane; 1,2,3,4-tetrahydroquinoline-8-sulfonate; hydrate CAS Name: methane; 1,2,3,4-tetrahydroquinoline-8-sulfonate; hydrate IUPAC Name: methane; 1,2,3,4-tetrahydroquinoline-8-sulfonate; hydrate Traditional Name: methane; 1,2,3,4-tetrahydroquinoline-8-sulfonate; hydrate Formula: C10H16NO4S- MolecularWeight: 246.30334

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Descriptors Computed from Structure

Canonical SMILES:

C.C1CC2=C(C(=CC=C2)S(=O)(=O)[O-])NC1.O

Isomeric SMILES

C.C1CC2=C(C(=CC=C2)S(=O)(=O)[O-])NC1.O

InChI

InChI=1S/C9H11NO3S.CH4.H2O/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8;;/h1,3,5,10H,2,4,6H2,(H,11,12,13);1H4;1H2/p-1