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sodium 1H-benzo[f]indole-2-sulfonate dihydrate

sodium 1H-benzo[f]indole-2-sulfonate dihydrate

Systemtic Name:sodium 1H-benzo[f]indole-2-sulfonate dihydrate
Openeye Name:sodium 1H-benzo[f]indole-2-sulfonate dihydrate
CAS Name:sodium 1H-benzo[f]indole-2-sulfonate dihydrate
IUPAC Name:sodium 1H-benzo[f]indole-2-sulfonate dihydrate
Traditional Name:sodium 1H-benz[f]indole-2-sulfonate dihydrate
Formula: C12H12NNaO5S
MolecularWeight: 305.28215
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=C(N3)S(=O)(=O)[O-].O.O.[Na+]


Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=C(N3)S(=O)(=O)[O-].O.O.[Na+]


InChI

InChI=1S/C12H9NO3S.Na.2H2O/c14-17(15,16)12-7-10-5-8-3-1-2-4-9(8)6-11(10)13-12;;;/h1-7,13H,(H,14,15,16);;2*1H2/q;+1;;/p-1


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