(2-sulfonatosulfanylethanoylamino)methylbenzene

Systemtic Name: (2-sulfonatosulfanylethanoylamino)methylbenzene Openeye Name: [(2-sulfonatosulfanylacetyl)amino]methylbenzene CAS Name: [[1-oxo-2-(sulfonatothio)ethyl]amino]methylbenzene IUPAC Name: [(2-sulfonatosulfanylacetyl)amino]methylbenzene Traditional Name: [[2-(sulfonatothio)acetyl]amino]methylbenzene Formula: C9H10NO4S2- MolecularWeight: 260.31

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S2/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)/p-1