4-(ethanethioylamino)-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 4-(ethanethioylamino)-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 4-(ethanethioylamino)-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 4-(1-sulfanylideneethylamino)-5,7-bis(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 4-(ethanethioylamino)-5,7-bis(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 4-(thioacetylamino)-5,7-bis(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C12H11NO9S4 MolecularWeight: 441.47704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=CC2=CC(=CC(=C21)SOOO)SOOO)S(=O)(=O)O

Isomeric SMILES

CC(=S)NC1=CC(=CC2=CC(=CC(=C21)SOOO)SOOO)S(=O)(=O)O

InChI

InChI=1S/C12H11NO9S4/c1-6(23)13-10-5-9(26(16,17)18)3-7-2-8(24-21-19-14)4-11(12(7)10)25-22-20-15/h2-5,14-15H,1H3,(H,13,23)(H,16,17,18)