sodium 4-(ethoxycarbothioylamino)benzenesulfonate

Systemtic Name: sodium 4-(ethoxycarbothioylamino)benzenesulfonate Openeye Name: sodium 4-(ethoxycarbothioylamino)benzenesulfonate CAS Name: sodium 4-[[ethoxy(sulfanylidene)methyl]amino]benzenesulfonate IUPAC Name: sodium 4-(ethoxycarbothioylamino)benzenesulfonate Traditional Name: sodium 4-(ethoxycarbothioylamino)besylate Formula: C9H10NNaO4S2 MolecularWeight: 283.29977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=S)NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11NO4S2.Na/c1-2-14-9(15)10-7-3-5-8(6-4-7)16(11,12)13;/h3-6H,2H2,1H3,(H,10,15)(H,11,12,13);/q;+1/p-1