sodium (2-sulfonatosulfanylethanoylamino)methylbenzene

Systemtic Name: sodium (2-sulfonatosulfanylethanoylamino)methylbenzene Openeye Name: sodium [(2-sulfonatosulfanylacetyl)amino]methylbenzene CAS Name: sodium [[1-oxo-2-(sulfonatothio)ethyl]amino]methylbenzene IUPAC Name: sodium [(2-sulfonatosulfanylacetyl)amino]methylbenzene Traditional Name: sodium [[2-(sulfonatothio)acetyl]amino]methylbenzene Formula: C9H10NNaO4S2 MolecularWeight: 283.29977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11NO4S2.Na/c11-9(7-15-16(12,13)14)10-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11)(H,12,13,14);/q;+1/p-1