1-(1H-indol-3-yl)-2-nitro-ethanesulfonic acid

Systemtic Name: 1-(1H-indol-3-yl)-2-nitro-ethanesulfonic acid Openeye Name: 1-(1H-indol-3-yl)-2-nitro-ethanesulfonic acid CAS Name: 1-(1H-indol-3-yl)-2-nitroethanesulfonic acid IUPAC Name: 1-(1H-indol-3-yl)-2-nitroethanesulfonic acid Traditional Name: 1-(1H-indol-3-yl)-2-nitro-ethanesulfonic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C10H10N2O5S/c13-12(14)6-10(18(15,16)17)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-11H,6H2,(H,15,16,17)