4-acetamido-6-methyl-5-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 4-acetamido-6-methyl-5-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 4-acetamido-5-hydroxy-6-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 4-acetamido-5-hydroxy-6-methyl-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 4-acetamido-5-hydroxy-6-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 4-acetamido-5-hydroxy-6-methyl-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C13H13NO8S2 MolecularWeight: 375.37422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=C(C2=C1O)NC(=O)C)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=C(C=C2C=C(C=C(C2=C1O)NC(=O)C)S(=O)(=O)O)SOOO

InChI

InChI=1S/C13H13NO8S2/c1-6-11(23-22-21-17)4-8-3-9(24(18,19)20)5-10(14-7(2)15)12(8)13(6)16/h3-5,16-17H,1-2H3,(H,14,15)(H,18,19,20)