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

Systemtic Name: 4-(ethanethioylamino)-5-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 4-(ethanethioylamino)-5-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 5-methyl-4-(1-sulfanylideneethylamino)-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 4-(ethanethioylamino)-5-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 5-methyl-4-(thioacetylamino)-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C13H13NO6S3 MolecularWeight: 375.44042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)SOOO)C=C(C=C2NC(=S)C)S(=O)(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1)SOOO)C=C(C=C2NC(=S)C)S(=O)(=O)O

InChI

InChI=1S/C13H13NO6S3/c1-7-3-10(22-20-19-15)4-9-5-11(23(16,17)18)6-12(13(7)9)14-8(2)21/h3-6,15H,1-2H3,(H,14,21)(H,16,17,18)